Molecule ID: 50900415

IUPAC Name: (1R,7R,9S,10S,11S)-12,12-dimethyl-5-propan-2-yl-8,17-dioxapentacyclo[8.5.2.01,11.02,7.07,9]heptadeca-2,5-diene-4,16-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, a cyclic terpene ketone and an epoxide.

SMILES: CC(C)C1=C[C@]23O[C@H]2[C@H]2OC(=O)[C@@]4(CCCC(C)(C)[C@H]24)C3=CC1=O

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

InChI: InChI=1S/C20H24O4/c1-10(2)11-9-20-13(8-12(11)21)19-7-5-6-18(3,4)15(19)14(16(20)24-20)23-17(19)22/h8-10,14-16H,5-7H2,1-4H3/t14-,15-,16-,19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 55.9 Ų
- LogP: 2.8