Molecule ID: 53326127

IUPAC Name: (1R,5S,8R,10S,17S)-5-methyl-13-propan-2-yl-7,9-dioxapentacyclo[8.6.2.01,8.05,17.011,16]octadeca-11,13,15-trien-14-ol

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 an abietane diterpenoid, a bridged compound and a cyclic ether.

SMILES: CC(C)c1cc2c(cc1O)[C@]13CCC[C@]4(C)CO[C@@H]1O[C@H]2C[C@@H]43

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][C][O][C@@H1][Ring1][=Branch2][O][C@H1][Ring1][S][C][C@@H1][Ring1][=Branch2][Ring1][=N]

InChI: InChI=1S/C20H26O3/c1-11(2)12-7-13-14(8-15(12)21)20-6-4-5-19(3)10-22-18(20)23-16(13)9-17(19)20/h7-8,11,16-18,21H,4-6,9-10H2,1-3H3/t16-,17-,18+,19+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 38.7 Ų
- LogP: 4.1