Molecule ID: 70698096

IUPAC Name: (4R,5E,7E,10E,13R)-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one

Description: The molecule is a cembrane diterpenoid isolated from the leaves of Croton gratissimus. It has a role as a metabolite. It is a cembrane diterpenoid, a diterpene lactone and a macrocycle.

SMILES: CC1=C\C/C=C(\C)C[C@@H]2C=C(CC[C@H](C(C)C)/C=C/1)C(=O)O2

SELFIES: [C][C][=C][\C][/C][=C][Branch1][C][\C][C][C@@H1][C][=C][Branch1][S][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][/C][=C][-/Ring2][Ring1][C][C][=Branch1][C][=O][O][Ring1][=C]

InChI: InChI=1S/C20H28O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h6-9,13-14,17,19H,5,10-12H2,1-4H3/b9-8+,15-6+,16-7+/t17-,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 5.0