Molecule ID: 134814705

IUPAC Name: (1R,2R,5S,8R,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6,16-dioxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid

Description: The molecule is a gibberellin norketone in which the =O of the keto function in gibberellin A3 is replaced by a =CH2 methylidene group. It derives from a gibberellin A3.

SMILES: C[C@@]12C(=O)O[C@]3(C=C[C@@H]1O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=O)[C@@H](C(=O)O)[C@@H]32

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

InChI: InChI=1S/C18H20O7/c1-15-9(19)3-5-18(25-14(15)23)8-2-4-17(24)7-16(8,6-10(17)20)11(12(15)18)13(21)22/h3,5,8-9,11-12,19,24H,2,4,6-7H2,1H3,(H,21,22)/t8-,9+,11-,12-,15-,16+,17+,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -0.5