Molecule ID: 70698063

IUPAC Name: (4E,6E,10E,13R)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-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: C=C(C)/C1=C/C=C(\C)CC/C=C(\C)C[C@@H]2C=C(CC1)C(=O)O2

SELFIES: [C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C@@H1][C][=C][Branch1][Branch1][C][C][Ring1][S][C][=Branch1][C][=O][O][Ring1][Branch2]

InChI: InChI=1S/C20H26O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h7-9,13,19H,1,5-6,10-12H2,2-4H3/b15-8+,16-7+,17-9+/t19-/m1/s1

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.6