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Gibberellin Impurity 70

CAT: 1299-RM-G012270-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G012270-01Size:10 mg
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CAS Number
203125-99-9
Molecular Formula
C19H22D2O5
Molecular Weight
334.41
Product Name Synonym
(1R,4aR,4bR,7S,9aS,10S,10aR) -7-hydroxy-1-methyl-8- (methylene-d2) -13-oxododecahydro-4a,1- (epoxymethano) -7,9a-methanobenzo[a]azulene-10-carboxylic acid

Chemical Information

Gibberellin A20-d2
CAS Number203125-99-9
PubChem CID169440944
IUPAC Name(1R,2R,5S,8S,9S,10R,11R)-6-(dideuteriomethylidene)-5-hydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Molecular FormulaC19H24O5
Molecular Weight334.4
XLogP1.2
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity700
SMILES
[2H]C(=C1C[C@]23C[C@]1(CC[C@H]2[C@]45CCC[C@]([C@H]4[C@@H]3C(=O)O)(C(=O)O5)C)O)[2H]
InChI
InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1/i1D2
InChIKey
OXFPYCSNYOFUCH-PUFBYSOGSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A20-d2
CAS: 203125-99-9
CID: 169440944
Formula: C19H24O5
MW: 334.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass334.17492735
Monoisotopic Mass334.17492735
Topological Polar Surface Area83.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity700
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
164296Gibberellin A95
TRC-G377460-5MGGibberellin A7
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TRC-G377520-75MGGibberellin A20
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