Molecule ID: 442383

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

Description: The molecule is a vetispirane sesquiterpenoid that consists of (2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane bearing a formyl substituent at position 6. It has a role as an antifungal agent and a phytoalexin.

SMILES: C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[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][C@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C][=O]

InChI: InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.4