Molecule ID: 53355586

IUPAC Name: [(1R,2R,4R,7S,9R,10E,13R,15S,16S)-13-benzoyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-16-yl] benzoate

Description: The molecule is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is a lathyrane diterpenoid, a benzoate ester and an epoxide.

SMILES: C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C

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

InChI: InChI=1S/C34H38O6/c1-20-18-25-24(32(25,3)4)16-17-33(5)29(39-33)26-27(38-30(36)22-12-8-6-9-13-22)21(2)19-34(26,28(20)35)40-31(37)23-14-10-7-11-15-23/h6-15,18,21,24-27,29H,16-17,19H2,1-5H3/b20-18+/t21-,24-,25+,26+,27-,29+,33+,34+/m0/s1

Molecular Properties:
- Polar Surface Area: 82.2 Ų
- LogP: 6.9