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Gibberellenic Acid

CAT: 1299-RM-G053267-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G053267-01Size:10 mg
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CAS Number
546-09-8
Molecular Formula
C19H22O6
Molecular Weight
346.38
Product Name Synonym
(1S,2S,7S,9aR,10S,10aS) -2,7-dihydroxy-1-methyl-8-methylene-2,5,6,7,8,9,10,10a-octahydro-1H-7,9a-methanobenzo[a]azulene-1,10-dicarboxylic acid

Chemical Information

Gibberellenic acid
CAS Number546-09-8
PubChem CID12310117
IUPAC Name(1R,2S,3S,4S,5S,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-6,8-diene-2,4-dicarboxylic acid
Molecular FormulaC19H22O6
Molecular Weight346.4
XLogP0
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity779
SMILES
C[C@]1([C@H](C=CC2=C3CC[C@@]4(C[C@]3(CC4=C)[C@H]([C@@H]21)C(=O)O)O)O)C(=O)O
InChI
InChI=1S/C19H22O6/c1-9-7-18-8-19(9,25)6-5-11(18)10-3-4-12(20)17(2,16(23)24)13(10)14(18)15(21)22/h3-4,12-14,20,25H,1,5-8H2,2H3,(H,21,22)(H,23,24)/t12-,13+,14+,17+,18-,19-/m0/s1
InChIKey
JAHZEMKSAYRHSW-SBECISRQSA-N
Chemical Structure
2D Structure
2D structure of Gibberellenic acid
CAS: 546-09-8
CID: 12310117
Formula: C19H22O6
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass346.14163842
Monoisotopic Mass346.14163842
Topological Polar Surface Area115 Ų
Heavy Atom Count25
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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