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Gibberellin A1

CAT: 0572-TRC-G377495-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G377495-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
545-97-1
Synonyms
4aα,4bβ-Gibbane-1α,10β-dicarboxylic acid, 2β,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone (8CI); 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibbane-1,10-dicarboxylic acid deriv.; (+)-Gibberillin A1; GA1; Giberellin A1
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
C[C@]12[C@@H](O)CC[C@@]3(OC1=O)[C@@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)O
Molecular Formula
C19 H24 O6
Molecular Weight
348.39
InChI
InChI=1S/C19H24O6/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/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Gibberellin A1

Gibberellin A1 is a C19-gibberellin, initially identified in Gibberella fujikuroi. 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 A1(1-).

CAS Number545-97-1
PubChem CID5280379
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]heptadecane-9-carboxylic acid
Molecular FormulaC19H24O6
Molecular Weight348.4
XLogP0.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity731
SMILES
C[C@@]12[C@H](CC[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/C19H24O6/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/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
InChIKey
JLJLRLWOEMWYQK-OBDJNFEBSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A1
CAS: 545-97-1
CID: 5280379
Formula: C19H24O6
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass348.15728848
Monoisotopic Mass348.15728848
Topological Polar Surface Area104 Ų
Heavy Atom Count25
Formal Charge0
Complexity731
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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