Molecule ID: 10322912

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

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

SMILES: C[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(CO)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1O)C3(C)C

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

InChI: InChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14+/t17-,20-,21+,23+,24-,26+,28+,29+/m0/s1

Molecular Properties:
- Polar Surface Area: 96.4 Ų
- LogP: 4.4