EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:175951 - 20-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid
| Formula | C30H40O8 |
| Net Charge | 0 |
| Average Mass | 528.642 |
| Monoisotopic Mass | 528.27232 |
| SMILES | CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O |
| InChI | InChI=1S/C30H40O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,19-20,38H,8-14H2,1-7H3,(H,36,37) |
| InChIKey | QXAZRJVLUHRKJT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 20-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid (CHEBI:175951) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 6-hydroxy-2-methyl-4-oxo-6-(4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035895 | HMDB |