Molecule ID: 14605574

IUPAC Name: (1R,2R,5R,8R,9S,10R,11R,12S)-12-fluoro-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Description: The molecule is a halo-gibberellin that is gibberellin A9 carrying a fluoro substituent at position 3beta (2beta using gibbane skeletal numbering). It derives from a gibberellin A9.

SMILES: C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](F)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O

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

InChI: InChI=1S/C19H23FO4/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 2.7