Molecule ID: 11659465

IUPAC Name: 8-[(1S,2S,3R,4S,6S,7S,8R,9S,12R)-4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl]octanoic acid

Description: The molecule is a carbocyclic fatty acid consisting of octanoic acid which is terminally substituted by five fused cyclobutane-rings ([5]-ladderane). Ladderane fatty acids can be found in anammox bacteria. It is a ladderane, a carbocyclic fatty acid and a saturated fatty acid. It derives from an octanoic acid.

SMILES: O=C(O)CCCCCCC[C@H]1C[C@@H]2[C@H]3[C@@H]4[C@H]5CC[C@H]5[C@@H]4[C@H]3[C@H]12

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

InChI: InChI=1S/C20H30O2/c21-15(22)7-5-3-1-2-4-6-11-10-14-16(11)20-18-13-9-8-12(13)17(18)19(14)20/h11-14,16-20H,1-10H2,(H,21,22)/t11-,12-,13+,14-,16+,17+,18-,19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 5.6