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Gibberellin A34-d2

CAT: 0572-TRC-G377372-75MGSize: 75 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G377372-75MGSize:75 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
176449-76-6
Hazard Statement
No Data Available
Smiles
[2H]C(=C1C[C@]23C[C@H]1CC[C@H]2[C@]45C[C@H](O)[C@H](O)[C@](C)([C@H]4[C@@H]3C(=O)O)C(=O)O5)[2H]
Molecular Formula
C19 D2 H22 O6
Molecular Weight
350.403
InChI
InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1/i1D2
Additionnal Information
IUPAC name: (1R,2R,5R,8R,9S,10R,11S,12R,13S)-6-(dideuteriomethylidene)-12,13-dihydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Gibberellin A34-d2
CAS Number176449-76-6
PubChem CID169440936
IUPAC Name(1R,2R,5R,8R,9S,10R,11S,12R,13S)-6-(dideuteriomethylidene)-12,13-dihydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Molecular FormulaC19H24O6
Molecular Weight350.4
XLogP0.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity717
SMILES
[2H]C(=C1C[C@]23C[C@H]1CC[C@H]2[C@]45C[C@@H]([C@@H]([C@]([C@H]4[C@@H]3C(=O)O)(C(=O)O5)C)O)O)[2H]
InChI
InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1/i1D2
InChIKey
IGZIQAJJXGRAJF-LHPICALQSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A34-d2
CAS: 176449-76-6
CID: 169440936
Formula: C19H24O6
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass350.16984197
Monoisotopic Mass350.16984197
Topological Polar Surface Area104 Ų
Heavy Atom Count25
Formal Charge0
Complexity717
Isotope Atom Count2
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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