Gibberellin A53

(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid

Also Known As: Gibberellin A53|gibberellin 53|GibberellinA53|GA53|(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid|7-Hydroxy-1beta,4aalpha-dimethyl-8-methylenegibbane-1alpha,10beta-dicarboxylic acid|(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid|(1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid|7alpha-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid|(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo(10.2.1.0(1,9).0(3,8))pentadecane-2,4-dicarboxylic acid|(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo(10.2.1.01,9.03,8)pentadecane-2,4-dicarboxylic acid|7-Hydroxy-1beta,4abeta-dimethyl-8-methylidene-4bbeta-gibbane-1alpha,10beta-dicarboxylic acid|GA53; (1R,4aS,4bS,7S,9aS,10S,10aS)-7-hydroxy-1,4a-dimethyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1,10-dicarboxylic acid

Molecular Formula	C20H28O5
Molecular Weight	348.19366 g/mol
LogP	2.2
Topological Polar Surface Area	94.8 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	348.19366
Monoisotopic Mass	348.19366
Heavy Atoms	25
Complexity	686.0

Chemical Identifiers

CAS Number	51576-08-0
SMILES	C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)(C)C(=O)O
InChIKey	CZEMYYICWZPENF-VOLTXKGXSA-N