Molecule ID: 102256095

IUPAC Name: methyl 6-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)hexanoate

Description: The molecule is a fatty acid methyl ester consisting of methyl hexanoate, which is terminally substituted by five fused butane-rings ([5]-ladderane). Ladderane fatty acid methyl esters are core lipids of anammox bacteria. It is a ladderane and a fatty acid methyl ester. It derives from a methyl hexanoate.

SMILES: COC(=O)CCCCCC1CC2C1C1C3C4CCC4C3C21

SELFIES: [C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][Ring1][Ring2][C][C][C][C][C][C][Ring1][Ring2][C][Ring1][=Branch1][C][Ring1][#Branch2][Ring1][Branch2]

InChI: InChI=1S/C19H28O2/c1-21-14(20)6-4-2-3-5-10-9-13-15(10)19-17-12-8-7-11(12)16(17)18(13)19/h10-13,15-19H,2-9H2,1H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.8