Molecule ID: 101997919

IUPAC Name: (1R,2R,5S,8S,9S,10S,11R,16S)-5,16-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid

Description: The molecule is a C20-gibberellin that is tha lactone form of gibberellin A15 carrying two additional hydroxy substituents at positions 3 and 7. It has a role as a plant metabolite. It is a C20-gibberellin, a gibberellin monocarboxylic acid, a lactone, a dihydroxy monocarboxylic acid and an olefinic compound. It derives from a gibberellin A15 (lactone form).

SMILES: C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12COC(=O)[C@](C)(C[C@@H](O)C1)[C@H]2[C@@H]3C(=O)O

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

InChI: InChI=1S/C20H26O6/c1-10-5-18-8-20(10,25)4-3-12(18)19-7-11(21)6-17(2,16(24)26-9-19)14(19)13(18)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13-,14-,17-,18+,19-,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.5