| 2D Structure | |
| CID | 73299 |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| InChI | InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1 |
| InChI Key | PGOYMURMZNDHNS-MYPRUECHSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.7 |
| synonyms | ['Hederagenin', '465-99-6', 'Caulosapogenin', 'Hederagenol', 'Astrantiagenin E', 'Hederagenic acid', '(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid', 'CHEBI:69579', 'RQF57J8212', 'NSC-24954', '(3beta)-3,23-dihydroxyolean-12-en-28-oic acid', '(3-beta,4-alpha)-3,23-Dihydroxyolean-12-en-28-oic acid', 'DTXSID301029412', 'Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3beta,4alpha)-', 'DTXCID501514667', '207-369-9', 'cyclocaric acid A', '4-epi-hederagenin', 'Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3b,4a)-', 'MFCD00017385', 'NSC24954', 'Hederagenine', 'NSC 24954', '(3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid', 'EINECS 207-369-9', 'Herderagenin', 'UNII-RQF57J8212', 'HEDERAGENIN [MI]', 'Olean-12-en-28-oic acid, 3.beta.,23-dihydroxy-', 'Olean-12-en-28-oic acid, 3beta,23-dihydroxy-', 'HEDERAGENIN, (+)-', 'SCHEMBL359809', 'Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3.beta.,4.alpha.)-', 'CHEMBL486400', 'Hederagenin, >=97% (HPLC)', 'PGOYMURMZNDHNS-MYPRUECHSA-N', 'GLXC-19162', 'HY-N0256', 'Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3-beta,4-alpha)-', 'BDBM50442880', 's3899', 'AKOS016036289', 'CCG-269472', 'CS-5454', 'FH23742', 'AS-68383', 'DA-74076', 'Olean-12-en-28-oic acid,23-dihydroxy-', 'H1645', 'NS00031617', '3ss,4a-3,23-Dihydroxyolean-12-en-28-oicAcid', 'Olean-12-en-28-oic acid, 3-beta,23-dihydroxy-', 'Q-100493', 'Q5697238', '3beta,4alpha-3,23-Dihydroxyolean-12-en-28-oic Acid', '(3.beta.,4.alpha.)-3,23-Dihydroxyolean-12-en-28-oic acid', 'Olean-12-en-28-oic acid,23-dihydroxy-, (3.beta.,4.alpha.)-', '(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylicacid'] |
From Pubchem