Molecule ID: 134716707

IUPAC Name: (1R,4aS,7S,7aR)-4-(hydroxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol

Description: The molecule is a cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a hydroxymethyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer). It has a role as a plant metabolite. It is a cyclopentapyran, a lactol, an iridoid monoterpenoid and a primary alcohol. It derives from a 7-deoxyloganetic acid.

SMILES: C[C@H]1CC[C@@H]2C(CO)=CO[C@@H](O)[C@@H]21

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

InChI: InChI=1S/C10H16O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h5-6,8-12H,2-4H2,1H3/t6-,8+,9+,10+/m0/s1

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: 0.6