Molecule ID: 122209990

IUPAC Name: (1R,2Z,6R,7S,10S,11R,13R,16R,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-2-en-1-ol

Description: The molecule is a tetracyclic sesterterpenoid obtained by by expressing a small gene cluster consisting of a terpene synthase (Nf SS) and a cytochrome P450 monooxygenase (Nf P450). It is a sesterterpenoid, a carbopolycyclic compound and a tertiary allylic alcohol.

SMILES: C/C1=C2\CC[C@@H](C)[C@@H]2CC[C@H](C)[C@H]2C[C@@]3(C)CC[C@H](C(C)C)[C@@H]3C[C@]12O

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

InChI: InChI=1S/C25H42O/c1-15(2)19-11-12-24(6)13-22-17(4)8-9-20-16(3)7-10-21(20)18(5)25(22,26)14-23(19)24/h15-17,19-20,22-23,26H,7-14H2,1-6H3/b21-18-/t16-,17+,19-,20+,22-,23+,24-,25+/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 6.7