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 19:23:16 UTC |
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Update Date | 2022-03-07 02:54:08 UTC |
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HMDB ID | HMDB0034530 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Priverogenin A |
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Description | Priverogenin A 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 Priverogenin A. |
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Structure | CC1(C)CC(O)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 InChI=1S/C30H48O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,17,19-24,32-34H,9-16H2,1-7H3 |
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Synonyms | Value | Source |
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3,16,22-Trihydroxy-12-oleanen-28-al | HMDB | 9-amino-N-(2-(4-Morpholinyl)ethyl)-4-acridinecarboxamide | HMDB | 9-amino-N-[2-(4-MORPHOLINYL)ethyl]-4-acridinecarboxamide | HMDB | DRC | HMDB |
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Chemical Formula | C30H48O4 |
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Average Molecular Weight | 472.6997 |
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Monoisotopic Molecular Weight | 472.355260024 |
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IUPAC Name | 4,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carbaldehyde |
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Traditional Name | 4,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carbaldehyde |
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CAS Registry Number | 18443-26-0 |
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SMILES | CC1(C)CC(O)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 |
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InChI Identifier | InChI=1S/C30H48O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,17,19-24,32-34H,9-16H2,1-7H3 |
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InChI Key | QBWHAELJLKYXDB-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
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- 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 | 198 - 202 °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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Priverogenin A,1TMS,isomer #1 | CC1(C)CC(O[Si](C)(C)C)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | 3952.8 | Semi standard non polar | 33892256 | Priverogenin A,1TMS,isomer #2 | CC1(C)CC(O)C2(C=O)C(O[Si](C)(C)C)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | 3967.2 | Semi standard non polar | 33892256 | Priverogenin A,1TMS,isomer #3 | CC1(C)CC(O)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC43C)C2C1 | 3997.7 | Semi standard non polar | 33892256 | Priverogenin A,2TMS,isomer #1 | CC1(C)CC(O[Si](C)(C)C)C2(C=O)C(O[Si](C)(C)C)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | 3936.1 | Semi standard non polar | 33892256 | Priverogenin A,2TMS,isomer #2 | CC1(C)CC(O[Si](C)(C)C)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC43C)C2C1 | 3966.3 | Semi standard non polar | 33892256 | Priverogenin A,2TMS,isomer #3 | CC1(C)CC(O)C2(C=O)C(O[Si](C)(C)C)CC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC43C)C2C1 | 3977.8 | Semi standard non polar | 33892256 | Priverogenin A,3TMS,isomer #1 | CC1(C)CC(O[Si](C)(C)C)C2(C=O)C(O[Si](C)(C)C)CC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC43C)C2C1 | 3835.1 | Semi standard non polar | 33892256 | Priverogenin A,1TBDMS,isomer #1 | CC1(C)CC(O[Si](C)(C)C(C)(C)C)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | 4183.2 | Semi standard non polar | 33892256 | Priverogenin A,1TBDMS,isomer #2 | CC1(C)CC(O)C2(C=O)C(O[Si](C)(C)C(C)(C)C)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | 4198.9 | Semi standard non polar | 33892256 | Priverogenin A,1TBDMS,isomer #3 | CC1(C)CC(O)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC43C)C2C1 | 4220.9 | Semi standard non polar | 33892256 | Priverogenin A,2TBDMS,isomer #1 | CC1(C)CC(O[Si](C)(C)C(C)(C)C)C2(C=O)C(O[Si](C)(C)C(C)(C)C)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | 4372.8 | Semi standard non polar | 33892256 | Priverogenin A,2TBDMS,isomer #2 | CC1(C)CC(O[Si](C)(C)C(C)(C)C)C2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC43C)C2C1 | 4387.7 | Semi standard non polar | 33892256 | Priverogenin A,2TBDMS,isomer #3 | CC1(C)CC(O)C2(C=O)C(O[Si](C)(C)C(C)(C)C)CC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC43C)C2C1 | 4390.9 | Semi standard non polar | 33892256 | Priverogenin A,3TBDMS,isomer #1 | CC1(C)CC(O[Si](C)(C)C(C)(C)C)C2(C=O)C(O[Si](C)(C)C(C)(C)C)CC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC43C)C2C1 | 4481.0 | Semi standard non polar | 33892256 |
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