Molecule ID: 21594964

IUPAC Name: (3R,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde

Description: The molecule is a vetispirane sesquiterpenoid that is lubimin substituted by a hydroxy group at position 3. It has a role as a plant metabolite. It is a vetispirane sesquiterpenoid, an aldehyde and a diol. It derives from a lubimin.

SMILES: C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)[C@@H](O)[C@H](O)C[C@@H]2C=O

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

InChI: InChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3/t10-,11-,12-,13-,14-,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 2.4