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Gibberellin A1 Methyl Ester

CAT: 1299-RM-G020913-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G020913-01Size:10 mg
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CAS Number
4747-53-9
Synonyms
GA1 methyl ester; (1S,2S,4aR,4bR,7S,9aS,10S,10aR) -methyl 2,7-dihydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1- (epoxymethano) -7,9a-methanobenzo[a]azulene-10-carboxylate
Molecular Formula
C20H26O6
Molecular Weight
362.42
Target Alternative Name
Gibberellin
Product Name Synonym
GA1 methyl ester; (1S,2S,4aR,4bR,7S,9aS,10S,10aR) -methyl 2,7-dihydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1- (epoxymethano) -7,9a-methanobenzo[a]azulene-10-carboxylate

Chemical Information

gibberellin A1 methyl ester

Gibberellin A1 methyl ester is a gibberellin ester that is the methyl ester of gibberellin A1. It is a lactone, a methyl ester, a tertiary alcohol, a secondary alcohol, an organic heteropentacyclic compound and a gibberellin ester. It is functionally related to a gibberellin A1.

CAS Number4747-53-9
PubChem CID13390311
IUPAC Namemethyl (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-carboxylate
Molecular FormulaC20H26O6
Molecular Weight362.4
XLogP0.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity747
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)OC)OC2=O)O
InChI
InChI=1S/C20H26O6/c1-10-8-18-9-19(10,24)6-4-11(18)20-7-5-12(21)17(2,16(23)26-20)14(20)13(18)15(22)25-3/h11-14,21,24H,1,4-9H2,2-3H3/t11-,12+,13-,14-,17-,18+,19+,20-/m1/s1
InChIKey
OHIXAJDQAXXFTE-QDEMZEMRSA-N
Chemical Structure
2D Structure
2D structure of gibberellin A1 methyl ester
CAS: 4747-53-9
CID: 13390311
Formula: C20H26O6
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass362.17293854
Monoisotopic Mass362.17293854
Topological Polar Surface Area93.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity747
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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Alternative Products

CatalogName
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