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Gibberellin A12

CAT: 1299-RM-G020965-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G020965-01Size:10 mg
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CAS Number
1164-45-0
Synonyms
GA12; (1R,4aS,4bS,7R,9aR,10S,10aS) -1,4a-dimethyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1,10-dicarboxylic acid
Molecular Formula
C20H28O4
Molecular Weight
332.43
Target Alternative Name
Gibberellin

Chemical Information

Gibberellin A12

Gibberellin A12 is a C20-gibberellin, initially identified in Gibberella fujikuroi, in which the gibbane skeleton carries 1beta- and 4aalpha-methyl groups, 1alpha- and 10beta-carboxy substituents, and a methylene group at C-8 (all gibbane numberings). It is a C20-gibberellin and a dicarboxylic acid. It is a conjugate acid of a gibberellin A12(2-).

CAS Number1164-45-0
PubChem CID443450
IUPAC Name(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Molecular FormulaC20H28O4
Molecular Weight332.4
XLogP3.9
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity640
SMILES
C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)O)(C)C(=O)O
InChI
InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1
InChIKey
UJFQJDAESQJXTG-UFUZVNNQSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A12
CAS: 1164-45-0
CID: 443450
Formula: C20H28O4
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass332.19875937
Monoisotopic Mass332.19875937
Topological Polar Surface Area74.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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