Molecule ID: 50900145

IUPAC Name: (2R)-2-[(1S,2S,4aS,4bR,6aR,10aR,10bS,12aR)-1-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-2-yl]propanoic acid

Description: The molecule is a tetracyclic triterpenoid isolated from the leaves of Garcia parviflora. It has a role as a plant metabolite. It is a tetracyclic triterpenoid and a monocarboxylic acid.

SMILES: C=C[C@@H]1[C@@](C)([C@@H](C)C(=O)O)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C

SELFIES: [C][=C][C@@H1][C@@][Branch1][C][C][Branch1][#Branch2][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C@H1][C@@][Ring1][N][Branch1][C][C][C][C][C@@][Branch1][C][C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C][C@][Ring2][Ring1][Ring1][Ring1][=C][C]

InChI: InChI=1S/C30H50O2/c1-10-21-27(6,20(2)24(31)32)12-11-22-28(21,7)16-18-30(9)23-19-25(3,4)13-14-26(23,5)15-17-29(22,30)8/h10,20-23H,1,11-19H2,2-9H3,(H,31,32)/t20-,21+,22-,23+,26+,27+,28-,29+,30-/m0/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 10.1