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Gibberellin A19

CAT: 0572-TRC-G377350-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G377350-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6980-44-5
Hazard Statement
No Data Available
Smiles
C[C@]1(CCC[C@@]2(C=O)[C@@H]3CC[C@]4(O)C[C@]3(CC4=C)[C@H]([C@H]12)C(=O)O)C(=O)O
Molecular Formula
C20 H26 O6
Molecular Weight
362.417
InChI
InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
Additionnal Information
IUPAC name: (1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Gibberellin A19

Gibberellin A19 is a C20-gibberellin. It has a role as a plant metabolite. It is a C20-gibberellin and a dicarboxylic acid. It is a conjugate acid of a gibberellin A19(2-).

CAS Number6980-44-5
PubChem CID5460209
IUPAC Name(1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Molecular FormulaC20H26O6
Molecular Weight362.4
XLogP0.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity730
SMILES
C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O
InChI
InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
InChIKey
VNCQCPQAMDQEBY-YTJHIPEWSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A19
CAS: 6980-44-5
CID: 5460209
Formula: C20H26O6
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass362.17293854
Monoisotopic Mass362.17293854
Topological Polar Surface Area112 Ų
Heavy Atom Count26
Formal Charge0
Complexity730
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