Molecule ID: 56601656

IUPAC Name: 5-hydroxy-5-(hydroxymethyl)-3-[(5R,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]furan-2-one

Description: The molecule is a tetracyclic triterpenoid isolated from Dysoxylum lenticellatum. It has a role as a metabolite and a plant metabolite. It is a butenolide, a cyclic terpene ketone and a tetracyclic triterpenoid.

SMILES: CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(O)(CO)OC5=O)CC[C@]4(C)C3=CC[C@@H]12

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

InChI: InChI=1S/C27H38O5/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)29)9-13-25(4)17(8-12-26(19,25)5)16-14-27(31,15-28)32-22(16)30/h6,14,17-18,20,28,31H,7-13,15H2,1-5H3/t17-,18-,20-,24+,25-,26+,27?/m0/s1

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 4.0