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Gibberellin A51

CAT: 0572-TRC-G377380-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G377380-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56978-14-4
Hazard Statement
No Data Available
Smiles
C[C@]12C[C@@H](O)C[C@@]3(OC1=O)[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)O
Molecular Formula
C19 H24 O5
Molecular Weight
332.391
InChI
InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(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
Additionnal Information
IUPAC name: (1R,2R,5R,8R,9S,10R,11R,13R)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Gibberellin A51

Gibberellin A51 is a C19-gibberellin, a lactone and a gibberellin monocarboxylic acid.

CAS Number56978-14-4
PubChem CID5281985
IUPAC Name(1R,2R,5R,8R,9S,10R,11R,13R)-13-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@@]12C[C@H](C[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/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(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
HHDWSDSMWJQURA-MHKXYFPYSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A51
CAS: 56978-14-4
CID: 5281985
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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