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 19:14:20 UTC |
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Update Date | 2022-03-07 02:54:05 UTC |
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HMDB ID | HMDB0034400 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Withaperuvin F |
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Description | Barogenin, also known as kryptogenin, belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. Barogenin is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC=C2C3CC4OC5CC(=O)C(C)(C3CCC12C)C4(O)C5O InChI=1S/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3 |
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Synonyms | Value | Source |
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Kryptogenin | MeSH | 3a,6a-Epoxy-4b,5,17b,20R-tetrahydroxy-1-oxo-5b,22R-witha-14,24-dienolide | HMDB |
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Chemical Formula | C28H38O8 |
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Average Molecular Weight | 502.5965 |
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Monoisotopic Molecular Weight | 502.256668192 |
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IUPAC Name | 7-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-7,16,17-trihydroxy-8,12-dimethyl-18-oxapentacyclo[13.2.1.0³,¹¹.0⁴,⁸.0¹²,¹⁷]octadec-4-en-13-one |
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Traditional Name | 7-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-7,16,17-trihydroxy-8,12-dimethyl-18-oxapentacyclo[13.2.1.0³,¹¹.0⁴,⁸.0¹²,¹⁷]octadec-4-en-13-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC=C2C3CC4OC5CC(=O)C(C)(C3CCC12C)C4(O)C5O |
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InChI Identifier | InChI=1S/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3 |
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InChI Key | YZKXYOSYQKJNOD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. |
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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 | Bile acids, alcohols and derivatives |
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Direct Parent | Dihydroxy bile acids, alcohols and derivatives |
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Alternative Parents | |
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Substituents | - 26-hydroxysteroid
- Dihydroxy bile acid, alcohol, or derivatives
- 22-oxosteroid
- 21-oxosteroid
- 3-hydroxy-delta-5-steroid
- 3-hydroxysteroid
- Oxosteroid
- 16-oxosteroid
- Hydroxysteroid
- Delta-5-steroid
- Fatty alcohol
- Fatty acyl
- Cyclic alcohol
- Cyclic ketone
- Secondary alcohol
- Ketone
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic 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 | 174 - 175 °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 IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Withaperuvin F,1TMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1 | 4115.1 | Semi standard non polar | 33892256 | Withaperuvin F,1TMS,isomer #2 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1 | 4117.2 | Semi standard non polar | 33892256 | Withaperuvin F,1TMS,isomer #3 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O)C1 | 4137.2 | Semi standard non polar | 33892256 | Withaperuvin F,1TMS,isomer #4 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C)C1 | 4134.3 | Semi standard non polar | 33892256 | Withaperuvin F,1TMS,isomer #5 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O)C6O)C1 | 4094.6 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1 | 4096.0 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #10 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C)C1 | 4049.9 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #2 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O)C1 | 4073.0 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #3 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C)C1 | 4073.8 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #4 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O)C6O)C1 | 4053.6 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #5 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O)C1 | 4085.7 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #6 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C)C1 | 4087.9 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #7 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O)C6O)C1 | 4057.6 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #8 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 4098.1 | Semi standard non polar | 33892256 | Withaperuvin F,2TMS,isomer #9 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O)C1 | 4028.2 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O)C1 | 4015.1 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #10 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 3956.8 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #2 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C)C1 | 4018.4 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #3 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O)C6O)C1 | 4007.6 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #4 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 4011.6 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #5 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O)C1 | 3972.1 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #6 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C)C1 | 3982.5 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #7 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 4023.1 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #8 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O)C1 | 3974.4 | Semi standard non polar | 33892256 | Withaperuvin F,3TMS,isomer #9 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C)C1 | 3981.1 | Semi standard non polar | 33892256 | Withaperuvin F,4TMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 3952.1 | Semi standard non polar | 33892256 | Withaperuvin F,4TMS,isomer #2 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O)C1 | 3895.2 | Semi standard non polar | 33892256 | Withaperuvin F,4TMS,isomer #3 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C)C1 | 3909.7 | Semi standard non polar | 33892256 | Withaperuvin F,4TMS,isomer #4 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 3886.6 | Semi standard non polar | 33892256 | Withaperuvin F,4TMS,isomer #5 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 3875.8 | Semi standard non polar | 33892256 | Withaperuvin F,5TMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 3807.1 | Semi standard non polar | 33892256 | Withaperuvin F,5TMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C)C2(O[Si](C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C)C6O[Si](C)(C)C)C1 | 3925.5 | Standard non polar | 33892256 | Withaperuvin F,1TBDMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1 | 4352.0 | Semi standard non polar | 33892256 | Withaperuvin F,1TBDMS,isomer #2 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1 | 4345.7 | Semi standard non polar | 33892256 | Withaperuvin F,1TBDMS,isomer #3 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O)C1 | 4363.0 | Semi standard non polar | 33892256 | Withaperuvin F,1TBDMS,isomer #4 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C(C)(C)C)C1 | 4372.0 | Semi standard non polar | 33892256 | Withaperuvin F,1TBDMS,isomer #5 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O)C6O)C1 | 4327.6 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1 | 4564.8 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #10 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C(C)(C)C)C1 | 4519.1 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #2 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O)C1 | 4557.1 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #3 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C(C)(C)C)C1 | 4563.4 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #4 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O)C6O)C1 | 4528.0 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #5 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O)C1 | 4545.1 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #6 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C(C)(C)C)C1 | 4554.8 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #7 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O)C6O)C1 | 4513.5 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #8 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O[Si](C)(C)C(C)(C)C)C1 | 4570.8 | Semi standard non polar | 33892256 | Withaperuvin F,2TBDMS,isomer #9 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O)C1 | 4501.3 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #1 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O)C1 | 4700.6 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #10 | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O[Si](C)(C)C(C)(C)C)C1 | 4623.9 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #2 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C(C)(C)C)C1 | 4715.1 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #3 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O)C6O)C1 | 4676.5 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #4 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O[Si](C)(C)C(C)(C)C)C1 | 4712.9 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #5 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O)C1 | 4641.8 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #6 | CC1=C(C)C(=O)OC(C(C)(O[Si](C)(C)C(C)(C)C)C2(O)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C(C)(C)C)C1 | 4656.8 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #7 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O[Si](C)(C)C(C)(C)C)C1 | 4696.2 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #8 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O[Si](C)(C)C(C)(C)C)C6O)C1 | 4626.5 | Semi standard non polar | 33892256 | Withaperuvin F,3TBDMS,isomer #9 | CC1=C(C)C(=O)OC(C(C)(O)C2(O[Si](C)(C)C(C)(C)C)CC=C3C4CC5OC6C=C(O[Si](C)(C)C(C)(C)C)C(C)(C4CCC32C)C5(O)C6O[Si](C)(C)C(C)(C)C)C1 | 4632.2 | Semi standard non polar | 33892256 |
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