Molecule ID: 70698284

IUPAC Name: (1R,4S,9R)-5,5-dimethyl-13-propan-2-yl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadeca-10,13-diene-12,16-dione

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 diterpene lactone, an abietane diterpenoid and a cyclic terpene ketone.

SMILES: CC(C)C1=C[C@@]23CC[C@H]4C(C)(C)CCC[C@]4(C(=O)O2)C3=CC1=O

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

InChI: InChI=1S/C20H26O3/c1-12(2)13-11-19-9-6-15-18(3,4)7-5-8-20(15,17(22)23-19)16(19)10-14(13)21/h10-12,15H,5-9H2,1-4H3/t15-,19+,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 3.8