Molecule ID: 53262781

IUPAC Name: (1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,5-triol

Description: The molecule is a eudesmane sesquiterpenoid in which the eudesmane skeleton carries hydroxy substituents at position 1, 6 and 7 and a double bond between C-4 and C-14. It has been isolated from the aerial parts of Tephrosia candida. It has a role as a plant metabolite. It is a eudesmane sesquiterpenoid, a secondary alcohol and a tertiary alcohol.

SMILES: C=C1CC[C@@H](O)[C@]2(C)CC[C@@](O)(C(C)C)[C@H](O)[C@@H]12

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

InChI: InChI=1S/C15H26O3/c1-9(2)15(18)8-7-14(4)11(16)6-5-10(3)12(14)13(15)17/h9,11-13,16-18H,3,5-8H2,1-2,4H3/t11-,12-,13-,14+,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 60.7 Ų
- LogP: 1.6