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Gibberellin Impurity 69

CAT: 1299-RM-G020969-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G020969-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132970-89-9
Synonyms
(1R,4aR,4bR,7R,9aR,10S,10aR) -1-methyl-8- (methylene-d2) -13-oxododecahydro-4a,1- (epoxymethano) -7,9a-methanobenzo[a]azulene-10-carboxylic acid
Molecular Formula
C19H22D2O4
Molecular Weight
318.41
Target Alternative Name
Gibberellin

Chemical Information

Gibberellin A9-d2
CAS Number132970-89-9
PubChem CID12310168
IUPAC Name(1R,2R,5R,8R,9S,10R,11R)-6-(dideuteriomethylidene)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Molecular FormulaC19H24O4
Molecular Weight318.4
XLogP2.7
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity654
SMILES
[2H]C(=C1C[C@]23C[C@H]1CC[C@H]2[C@]45CCC[C@]([C@H]4[C@@H]3C(=O)O)(C(=O)O5)C)[2H]
InChI
InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1/i1D2
InChIKey
MHVYWTXXZIFXDT-XBWKJSNLSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A9-d2
CAS: 132970-89-9
CID: 12310168
Formula: C19H24O4
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass318.18001273
Monoisotopic Mass318.18001273
Topological Polar Surface Area63.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity654
Isotope Atom Count2
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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T65210-01Gibberellin A4
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