Molecule ID: 10262598

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

Description: The molecule is an iridoid monoterpenoid that is the methyl ester of 7-deoxyloganetic acid. It has a role as a plant metabolite. It is a cyclopentapyran, an iridoid monoterpenoid, a methyl ester and a lactol. It derives from a 7-deoxyloganetic acid.

SMILES: COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC[C@@H]2C

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

InChI: InChI=1S/C11H16O4/c1-6-3-4-7-8(10(12)14-2)5-15-11(13)9(6)7/h5-7,9,11,13H,3-4H2,1-2H3/t6-,7+,9+,11+/m0/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 1.6