Molecule ID: 50900599

IUPAC Name: (1S,4aR,10aS)-4a,6-dihydroxy-1-(hydroxymethyl)-1-methyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Description: The molecule is a tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is a cyclic terpene ketone, a tricyclic diterpenoid and a member of phenols.

SMILES: CC(C)c1cc2c(cc1O)[C@@]1(O)CCC[C@](C)(CO)[C@@H]1CC2=O

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

InChI: InChI=1S/C19H26O4/c1-11(2)12-7-13-14(8-15(12)21)19(23)6-4-5-18(3,10-20)17(19)9-16(13)22/h7-8,11,17,20-21,23H,4-6,9-10H2,1-3H3/t17-,18+,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 2.2