GIBBERELLIC ACID

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

CAS: 77-06-5

Molecular Formula	`C19H22O6`
Molecular Weight	346.4 g/mol
LogP	0.2
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	346.14163
Heavy Atoms	25
Complexity	772.0

Chemical Identifiers

CAS Number	77-06-5
SMILES	`CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O`
InChIKey	`IXORZMNAPKEEDV-OBDJNFEBSA-N`

📖 Product Overview

GIBBERELLIC ACID (CAS: 77-06-5) is a chemical compound with molecular formula C19H22O6 and molecular weight 346.4 g/mol. Its IUPAC systematic name is (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid. LogP 0.2 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 346.14163 Heavy Atoms 25 Complexity 772.0 InChI Key: IXORZMNAPKEEDV-OBDJNFEBSA-N. SMILES: CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O.

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