Molecule ID: 50900413

IUPAC Name: (1R,7R,10S,11S)-7-hydroxy-11-methyl-5-propan-2-yl-13-oxatetracyclo[9.3.3.01,10.02,7]heptadeca-2,5-diene-4,14-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, a tetracyclic diterpenoid and a cyclic terpene ketone.

SMILES: CC(C)C1=C[C@]2(O)CC[C@H]3[C@]4(C)CCC[C@]3(C(=O)OC4)C2=CC1=O

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

InChI: InChI=1S/C20H26O4/c1-12(2)13-10-19(23)8-5-15-18(3)6-4-7-20(15,17(22)24-11-18)16(19)9-14(13)21/h9-10,12,15,23H,4-8,11H2,1-3H3/t15-,18+,19+,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 2.3