Molecule ID: 46173837

IUPAC Name: (1R,3S,4R,7S,8Z,11S,12R)-1,4,8-trimethyl-12-[(2S)-6-methylhept-5-en-2-yl]tricyclo[9.3.0.03,7]tetradec-8-en-4-ol

Description: The molecule is a sesterterpenoid that is (7Z)-ophiobola-7,19-diene carrying a hydroxy substituent at position 3. It has a role as a fungal metabolite. It is a sesterterpenoid, a carbotricyclic compound and a tertiary alcohol.

SMILES: CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](CC[C@@]3(C)O)/C(C)=C\C[C@@H]12

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

InChI: InChI=1S/C25H42O/c1-17(2)8-7-9-18(3)20-12-14-24(5)16-23-21(13-15-25(23,6)26)19(4)10-11-22(20)24/h8,10,18,20-23,26H,7,9,11-16H2,1-6H3/b19-10-/t18-,20+,21+,22-,23-,24+,25+/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 7.1