Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 21:01:35 UTC |
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Update Date | 2022-03-07 02:54:43 UTC |
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HMDB ID | HMDB0035970 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione |
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Description | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1 InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h8,10,17,21-23,30,32H,7,9,11-16H2,1-6H3 |
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Synonyms | Value | Source |
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(3b,17a,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione | Generator | (3Β,17α,23S)-17,23-epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione | Generator |
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Chemical Formula | C29H42O5 |
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Average Molecular Weight | 470.6408 |
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Monoisotopic Molecular Weight | 470.303224454 |
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IUPAC Name | 5'-hydroxy-6'-(hydroxymethyl)-2',3,6',11',15'-pentamethyl-5-propanoylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane]-1'(17'),9'-dien-12'-one |
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Traditional Name | 5'-hydroxy-6'-(hydroxymethyl)-2',3,6',11',15'-pentamethyl-5-propanoylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane]-1'(17'),9'-dien-12'-one |
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CAS Registry Number | Not Available |
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SMILES | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1 |
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InChI Identifier | InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h8,10,17,21-23,30,32H,7,9,11-16H2,1-6H3 |
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InChI Key | AZFKWPDLOCRQKE-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Oxosteroids |
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Direct Parent | Oxosteroids |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 221 - 224 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1 | 4028.2 | Standard polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1 | 3566.5 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1 | 4004.9 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TMS,isomer #1 | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3784.3 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TMS,isomer #2 | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO)C4=CCC32C)O1 | 3808.7 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TMS,isomer #3 | CCC(O[Si](C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 3822.9 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TMS,isomer #4 | CC=C(O[Si](C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 3760.2 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TMS,isomer #5 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 3718.8 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #1 | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3686.1 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #2 | CCC(O[Si](C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3707.8 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #3 | CC=C(O[Si](C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3634.6 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #4 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3600.3 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #5 | CCC(O[Si](C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO)C4=CCC32C)O1 | 3742.0 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #6 | CC=C(O[Si](C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO)C4=CCC32C)O1 | 3666.6 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #7 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO)C4=CCC32C)O1 | 3620.9 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #8 | CCC(O[Si](C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 3682.8 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TMS,isomer #9 | CC=C(O[Si](C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 3610.0 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #1 | CCC(O[Si](C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3631.6 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #1 | CCC(O[Si](C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3737.5 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #2 | CC=C(O[Si](C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3563.2 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #2 | CC=C(O[Si](C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3710.7 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #3 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3491.2 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #3 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3546.9 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #4 | CCC(O[Si](C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3561.8 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #4 | CCC(O[Si](C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3642.9 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #5 | CC=C(O[Si](C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3486.3 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #5 | CC=C(O[Si](C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3604.7 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #6 | CCC(O[Si](C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO)C4=CCC32C)O1 | 3587.5 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #6 | CCC(O[Si](C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO)C4=CCC32C)O1 | 3627.5 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #7 | CC=C(O[Si](C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO)C4=CCC32C)O1 | 3513.3 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TMS,isomer #7 | CC=C(O[Si](C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO)C4=CCC32C)O1 | 3580.6 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,4TMS,isomer #1 | CCC(O[Si](C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3483.9 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,4TMS,isomer #1 | CCC(O[Si](C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3654.6 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,4TMS,isomer #2 | CC=C(O[Si](C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3412.0 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,4TMS,isomer #2 | CC=C(O[Si](C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C)C5(C)CO[Si](C)(C)C)C4=CCC32C)O1 | 3607.1 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TBDMS,isomer #1 | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4020.0 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TBDMS,isomer #2 | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO)C4=CCC32C)O1 | 4023.0 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TBDMS,isomer #3 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 4073.7 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TBDMS,isomer #4 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 3999.0 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,1TBDMS,isomer #5 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 3955.5 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #1 | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4156.4 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #2 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4168.5 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #3 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4108.6 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #4 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4056.2 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #5 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO)C4=CCC32C)O1 | 4197.4 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #6 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO)C4=CCC32C)O1 | 4134.9 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #7 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO)C4=CCC32C)O1 | 4077.6 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #8 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 4146.1 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,2TBDMS,isomer #9 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO)C4=CCC32C)O1 | 4072.3 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #1 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4321.1 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #1 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4408.5 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #2 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4255.3 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #2 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4421.1 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #3 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4141.5 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #3 | CCC(=O)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4107.1 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #4 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4204.8 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #4 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4184.8 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #5 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4120.8 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #5 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O)C5(C)CO[Si](C)(C)C(C)(C)C)C4=CCC32C)O1 | 4186.9 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #6 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO)C4=CCC32C)O1 | 4232.7 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #6 | CCC(O[Si](C)(C)C(C)(C)C)=C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO)C4=CCC32C)O1 | 4141.9 | Standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #7 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO)C4=CCC32C)O1 | 4155.3 | Semi standard non polar | 33892256 | (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione,3TBDMS,isomer #7 | CC=C(O[Si](C)(C)C(C)(C)C)C1CC(C)C2(C=C(O[Si](C)(C)C(C)(C)C)C3(C)C4=CCC5C(C)(CCC(O[Si](C)(C)C(C)(C)C)C5(C)CO)C4=CCC32C)O1 | 4141.2 | Standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a73-3124900000-33f17785e8811dfbd065 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione GC-MS (2 TMS) - 70eV, Positive | splash10-0592-4201291000-4ae371dc0b7b209cf117 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 10V, Positive-QTOF | splash10-0udi-0002900000-0b1078b7af0cbea7b7d0 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 20V, Positive-QTOF | splash10-0f79-1053900000-556740706c830d593cc0 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 40V, Positive-QTOF | splash10-0019-0179000000-abfa5daff433033022ca | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 10V, Negative-QTOF | splash10-014i-0000900000-97d3ce6efbfa136924ae | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 20V, Negative-QTOF | splash10-0gi9-1000900000-6c40e05711ae21da070e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 40V, Negative-QTOF | splash10-0pw9-2019300000-f8e5d5f7595f65e5f2cc | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 10V, Negative-QTOF | splash10-014i-0000900000-80daa39ed61599c50028 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 20V, Negative-QTOF | splash10-03di-2002900000-416e7d0eed2606d58eb6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 40V, Negative-QTOF | splash10-052f-9001400000-4597818beec18ce32182 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 10V, Positive-QTOF | splash10-0fk9-0001900000-afe35d4d1894b32339d3 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 20V, Positive-QTOF | splash10-0w9a-0015900000-7169f0569139e9b903fd | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 40V, Positive-QTOF | splash10-000b-9001200000-f526a3803a401ffb9cdf | 2021-09-22 | Wishart Lab | View Spectrum |
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