| 2D Structure | |
| CID | 42639333 |
| Target | / |
| IUPAC Name | (1S,4aS,4bR,7S,8aR,10aR)-7-ethenyl-8a-hydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid |
| InChI | InChI=1S/C20H32O3/c1-5-17(2)11-7-15-18(3)9-6-10-19(4,16(21)22)14(18)8-12-20(15,23)13-17/h5,14-15,23H,1,6-13H2,2-4H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m1/s1 |
| InChI Key | PJBQQIKTIGUTST-PDURBABISA-N |
| Canonical SMILES | CC1(CCC2C3(CCCC(C3CCC2(C1)O)(C)C(=O)O)C)C=C |
| Isomeric SMILES | C[C@@]1(CC[C@@H]2[C@]3(CCC[C@]([C@@H]3CC[C@]2(C1)O)(C)C(=O)O)C)C=C |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.5 |
| synonyms | ['Toonaciliatin M', 'CHEBI:69974', '93930-04-2', '8beta-hydroxy-isopimar-15-en-19-oic acid', 'CHEMBL557698', 'AKOS040734065', 'DA-68256', 'Q27138319', '(1S,4aS,4bR,7S,8aR,10aR)-7-ethenyl-8a-hydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid'] |
From Pubchem