Molecule ID: 14605572

IUPAC Name: (1R,2R,5R,8R,9S,10R,11S,12S,14S)-12-hydroxy-11,14-dimethyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Description: The molecule is an alkyl-gibberellin that is gibberellin A4 carrying an extra methyl substituent at position 1alpha (4alpha using gibbane skeletal numbering).

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

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

InChI: InChI=1S/C20H26O5/c1-9-7-19-8-11(9)4-5-12(19)20-10(2)6-13(21)18(3,17(24)25-20)15(20)14(19)16(22)23/h10-15,21H,1,4-8H2,2-3H3,(H,22,23)/t10-,11+,12+,13-,14+,15+,18+,19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 2.1