Molecule ID: 44224026

IUPAC Name: (1R)-4-[(1E,3E,5E,7E,9E,11E)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

Description: The molecule is the (R-enantiomer of an apo carotenoid C25 terpenoid compound consisting of 12'-apo-beta-carotene having hydroxy substituents at the 3- and 12'-positions.

SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CO)C(C)(C)C[C@H](O)C1

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

InChI: InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 6.3