Molecule ID: 11988273

IUPAC Name: (2Z,4E)-5-[(1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

Description: The molecule is a cyclic ether that is phaseic acid in which the keto group has been reduced to the corresponding alcohol such that the two hydroxy groups are on the same side of the 6-membered ring. It is a cyclic ether, a tertiary alcohol, a secondary alcohol, a 6-hydroxy monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It derives from a phaseic acid.

SMILES: CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](O)C2

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

InChI: InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t11-,13-,14-,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 0.9