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Gibberellin A4

CAT: 0024-sc-235248Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-235248Size:5 mg
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CAS Number
468-44-0

Chemical Information

Gibberellin A4

Gibberellin A4 is a C19-gibberellin, initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the substitution of the OH at C-7 (gibbane numbering) by H. It has a role as a plant metabolite. It is a C19-gibberellin, a lactone and a gibberellin monocarboxylic acid. It is a conjugate acid of a gibberellin A4(1-).

CAS Number468-44-0
PubChem CID92109
IUPAC Name(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Molecular FormulaC19H24O5
Molecular Weight332.4
XLogP1.7
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity685
SMILES
C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O
InChI
InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
InChIKey
RSQSQJNRHICNNH-NFMPGMCNSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A4
CAS: 468-44-0
CID: 92109
Formula: C19H24O5
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass332.16237386
Monoisotopic Mass332.16237386
Topological Polar Surface Area83.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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