Molecule ID: 91666329

IUPAC Name: [(1R,3E,5R,7S,9Z,11R,12R,13S,14S)-3,6,6,10,14-pentamethyl-2-oxo-11,13-bis(prop-1-en-2-yloxy)-1-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] (E)-3-phenylprop-2-enoate

Description: The molecule is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is a cinnamate ester and a lathyrane diterpenoid.

SMILES: C=C(C)O[C@@H]1[C@@H]2[C@@H](OC(=C)C)/C(C)=C\C[C@H]3[C@@H](/C=C(\C)C(=O)[C@@]2(OC(=O)/C=C/c2ccccc2)C[C@@H]1C)C3(C)C

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

InChI: InChI=1S/C35H44O5/c1-21(2)38-31-23(5)15-17-27-28(34(27,8)9)19-24(6)33(37)35(20-25(7)32(30(31)35)39-22(3)4)40-29(36)18-16-26-13-11-10-12-14-26/h10-16,18-19,25,27-28,30-32H,1,3,17,20H2,2,4-9H3/b18-16+,23-15-,24-19+/t25-,27-,28+,30-,31-,32-,35+/m0/s1

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 7.9