Molecule ID: 50900414

IUPAC Name: (1R,3S,6S,10R,18S)-6-methyl-14-propan-2-yl-2,4-dioxapentacyclo[8.5.3.01,11.03,10.06,18]octadeca-11,14-dien-13-one

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 terpene ketone.

SMILES: CC(C)C1=C[C@]23CC[C@H]4[C@]5(C)CCC[C@@]4(C2=CC1=O)[C@@H](OC5)O3

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

InChI: InChI=1S/C20H26O3/c1-12(2)13-10-19-8-5-15-18(3)6-4-7-20(15,16(19)9-14(13)21)17(23-19)22-11-18/h9-10,12,15,17H,4-8,11H2,1-3H3/t15-,17-,18+,19+,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 3.1