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 19:22:55 UTC |
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Update Date | 2022-03-07 02:54:08 UTC |
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HMDB ID | HMDB0034526 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Bassic acid |
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Description | Bassic acid, also known as bassate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a small amount of articles have been published on Bassic acid. |
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Structure | CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5=CCC34C)C2C1)C(O)=O InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,9,19-20,22-23,31-33H,8,10-17H2,1-6H3,(H,34,35) |
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Synonyms | Value | Source |
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Bassate | Generator | Bassiaic acid | HMDB | Mimusopssapogenin | HMDB | 10,11-Dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylate | Generator | Bassic acid | MeSH |
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Chemical Formula | C30H46O5 |
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Average Molecular Weight | 486.6832 |
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Monoisotopic Molecular Weight | 486.334524582 |
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IUPAC Name | 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylic acid |
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Traditional Name | 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,10,11,12,12b,13,14b-dodecahydropicene-4a-carboxylic acid |
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CAS Registry Number | 465-01-0 |
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SMILES | CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5=CCC34C)C2C1)C(O)=O |
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InChI Identifier | InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,9,19-20,22-23,31-33H,8,10-17H2,1-6H3,(H,34,35) |
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InChI Key | FJGGNIPUSLFYJJ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- 12-hydroxysteroid
- Hydroxysteroid
- Steroid
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Organooxygen compound
- Primary 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 | 319 - 324 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.068 mg/L @ 25 °C (est) | The Good Scents Company Information System | 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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Bassic acid,1TMS,isomer #1 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O)C(C)(CO)C5=CCC43C)C2C1 | 4083.9 | Semi standard non polar | 33892256 | Bassic acid,1TMS,isomer #2 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O[Si](C)(C)C)C(C)(CO)C5=CCC43C)C2C1 | 4082.2 | Semi standard non polar | 33892256 | Bassic acid,1TMS,isomer #3 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO[Si](C)(C)C)C5=CCC43C)C2C1 | 4075.2 | Semi standard non polar | 33892256 | Bassic acid,1TMS,isomer #4 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5=CCC43C)C2C1 | 3980.5 | Semi standard non polar | 33892256 | Bassic acid,2TMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O)C(C)(CO)C5=CCC43C)C2C1 | 3937.9 | Semi standard non polar | 33892256 | Bassic acid,2TMS,isomer #2 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)(CO)C5=CCC43C)C2C1 | 4047.2 | Semi standard non polar | 33892256 | Bassic acid,2TMS,isomer #3 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O)C(C)(CO[Si](C)(C)C)C5=CCC43C)C2C1 | 4022.9 | Semi standard non polar | 33892256 | Bassic acid,2TMS,isomer #4 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O)C(O[Si](C)(C)C)C(C)(CO)C5=CCC43C)C2C1 | 3941.6 | Semi standard non polar | 33892256 | Bassic acid,2TMS,isomer #5 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5=CCC43C)C2C1 | 4025.1 | Semi standard non polar | 33892256 | Bassic acid,2TMS,isomer #6 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO[Si](C)(C)C)C5=CCC43C)C2C1 | 3951.4 | Semi standard non polar | 33892256 | Bassic acid,3TMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)(CO)C5=CCC43C)C2C1 | 3879.5 | Semi standard non polar | 33892256 | Bassic acid,3TMS,isomer #2 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O)C(C)(CO[Si](C)(C)C)C5=CCC43C)C2C1 | 3868.8 | Semi standard non polar | 33892256 | Bassic acid,3TMS,isomer #3 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5=CCC43C)C2C1 | 3996.4 | Semi standard non polar | 33892256 | Bassic acid,3TMS,isomer #4 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O)C(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5=CCC43C)C2C1 | 3870.2 | Semi standard non polar | 33892256 | Bassic acid,4TMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5=CCC43C)C2C1 | 3842.5 | Semi standard non polar | 33892256 | Bassic acid,1TBDMS,isomer #1 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C(C)(C)C)C(O)C(C)(CO)C5=CCC43C)C2C1 | 4312.2 | Semi standard non polar | 33892256 | Bassic acid,1TBDMS,isomer #2 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5=CCC43C)C2C1 | 4309.2 | Semi standard non polar | 33892256 | Bassic acid,1TBDMS,isomer #3 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5=CCC43C)C2C1 | 4311.9 | Semi standard non polar | 33892256 | Bassic acid,1TBDMS,isomer #4 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5=CCC43C)C2C1 | 4239.4 | Semi standard non polar | 33892256 | Bassic acid,2TBDMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C(C)(C)C)C(O)C(C)(CO)C5=CCC43C)C2C1 | 4405.8 | Semi standard non polar | 33892256 | Bassic acid,2TBDMS,isomer #2 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5=CCC43C)C2C1 | 4502.3 | Semi standard non polar | 33892256 | Bassic acid,2TBDMS,isomer #3 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C(C)(C)C)C(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5=CCC43C)C2C1 | 4462.7 | Semi standard non polar | 33892256 | Bassic acid,2TBDMS,isomer #4 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O)C(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5=CCC43C)C2C1 | 4407.7 | Semi standard non polar | 33892256 | Bassic acid,2TBDMS,isomer #5 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C5=CCC43C)C2C1 | 4465.4 | Semi standard non polar | 33892256 | Bassic acid,2TBDMS,isomer #6 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5=CCC43C)C2C1 | 4433.5 | Semi standard non polar | 33892256 | Bassic acid,3TBDMS,isomer #1 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5=CCC43C)C2C1 | 4523.1 | Semi standard non polar | 33892256 | Bassic acid,3TBDMS,isomer #2 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C(C)(C)C)C(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5=CCC43C)C2C1 | 4497.8 | Semi standard non polar | 33892256 | Bassic acid,3TBDMS,isomer #3 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C5=CCC43C)C2C1 | 4610.5 | Semi standard non polar | 33892256 | Bassic acid,3TBDMS,isomer #4 | CC1(C)CCC2(C(=O)O[Si](C)(C)C(C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O)C(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C5=CCC43C)C2C1 | 4511.1 | Semi standard non polar | 33892256 |
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