Molecule ID: 56677063

IUPAC Name: (3R,5R,9R,10R,13S,14S,17S)-17-[(5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-5-ethoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Description: The molecule is a tetracyclic triterpenoid found in Dysoxylum lenticellatum. It has a role as a plant metabolite. It is a tetracyclic triterpenoid and an epoxide.

SMILES: CCO[C@]1([C@@H]2OC2(C)C)CC([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1

SELFIES: [C][C][O][C@][Branch1][#Branch2][C@@H1][O][C][Ring1][Ring1][Branch1][C][C][C][C][C][Branch2][Ring2][N][C@@H1][C][C][C@][Branch1][C][C][C][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][C][C][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][=C][C][C][C@@][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C][C][O][Ring2][Ring1][P]

InChI: InChI=1S/C32H52O4/c1-9-34-32(26-28(4,5)36-26)18-20(19-35-32)21-12-16-31(8)23-10-11-24-27(2,3)25(33)14-15-29(24,6)22(23)13-17-30(21,31)7/h10,20-22,24-26,33H,9,11-19H2,1-8H3/t20?,21-,22-,24-,25+,26+,29+,30-,31+,32+/m0/s1

Molecular Properties:
- Polar Surface Area: 51.2 Ų
- LogP: 6.7