Molecule ID: 50900509

IUPAC Name: (1R,10S,11S,14S)-11-methyl-5-propan-2-yl-13-oxatetracyclo[9.3.3.01,10.02,7]heptadeca-2,4,6-triene-4,14-diol

Description: The molecule is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is a tetracyclic diterpenoid, an abietane diterpenoid and a cyclic ether.

SMILES: CC(C)c1cc2c(cc1O)[C@]13CCC[C@](C)(CO[C@@H]1O)[C@@H]3CC2

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

InChI: InChI=1S/C20H28O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17-18,21-22H,4-8,11H2,1-3H3/t17-,18-,19+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: 4.4