| 2D Structure | |
| CID | 71597391 |
| Target | / |
| IUPAC Name | (4aS,6aS,6aS,6bR,9S,10S,11S,12aR,14bS)-9,10,11-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid |
| InChI | InChI=1S/C29H44O5/c1-24(2)11-13-29(23(32)33)14-12-26(4)17(18(29)15-24)7-8-20-25(3)16-19(30)22(31)28(6,34)21(25)9-10-27(20,26)5/h7,9,18-20,22,30-31,34H,8,10-16H2,1-6H3,(H,32,33)/t18-,19-,20+,22-,25+,26+,27+,28-,29-/m0/s1 |
| InChI Key | WYJAKKNMIDWZKG-VJZIOILKSA-N |
| Canonical SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)O)O)O)C)C)C2C1)C)C(=O)O)C |
| Isomeric SMILES | C[C@@]12CC[C@]3(CCC(C[C@H]3C1=CC[C@H]4[C@]2(CC=C5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)O)O)O)C)C)(C)C)C(=O)O |
| Molecular Formula | C29H44O5 |
| Molecular Weight | 472.7 |
| synonyms | ['triterpenoids', '(4aS,6aS,6aS,6bR,9S,10S,11S,12aR,14bS)-9,10,11-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid'] |
From Pubchem