Molecule ID: 86289489

IUPAC Name: (2R,4aR,4bS,7S,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,9-diol

Description: The molecule is a tricyclic diterpenoid that is ent-sandaracopimaradiene bearing two additional hydroxy substituents at the 3alpha- and 7beta-positions. It has a role as a plant metabolite.

SMILES: C=C[C@@]1(C)C=C2[C@@H](CC1)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@@H]2O

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

InChI: InChI=1S/C20H32O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14-17,21-22H,1,7-11H2,2-5H3/t14-,15+,16-,17-,19-,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 4.2