GIBBERE L LIC ACID

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CAS Number

77-06-5

Chemical Information

(+)-Gibberellic Acid

Gibberellin A3 is a C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. It has a role as a mouse metabolite and a plant metabolite. It is a C19-gibberellin, a lactone, an organic heteropentacyclic compound and a gibberellin monocarboxylic acid. It is a conjugate acid of a gibberellin A3(1-).

CAS Number	77-06-5
PubChem CID	6466
IUPAC Name	(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
Molecular Formula	C19H22O6
Molecular Weight	346.4
XLogP	0.2
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	25
Formal Charge	0
Complexity	772

SMILES

C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O

InChI

InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1

InChIKey

IXORZMNAPKEEDV-OBDJNFEBSA-N

Chemical Structure

2D Structure

CAS: 77-06-5

CID: 6466

Formula: C19H22O6

MW: 346.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	346.4
XLogP3	0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	346.14163842
Monoisotopic Mass	346.14163842
Topological Polar Surface Area	104 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	772
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GIBBERE L LIC ACID

Chemical Information

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