Deuterated Withaferin A Deuterated
Product Specifications
Synonyms
Deuterated (4β,5β,6β,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic Acid δ-Lactone; Deuterated (20S,22R)-5,6β-Epoxy-4β,22,27-trihydroxy-1-oxo-5β-ergosta-2,24-dien-26-oic Acid δ-Lactone; Deuterated NSC 101088; Deuterated NSC 273757; Deuterated Withaferine; Deuterated Withaferine A
Hazard Statement
No Data Available
Smiles
OCC1=C(C([2H])([2H])[2H])C[C@]([C@@H](C)[C@]2([H])[C@@]3(C)CC[C@@]4([C@]([C@]56O[C@@H]5C[C@@]4([H])[C@]3([H])CC2)(C(C=C[C@@H]6O)=O)C)[H])(OC1=O)[H]
Molecular Formula
C28H35D3O6
Molecular Weight
473.62
InChI
InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1/i1D3
Additionnal Information
IUPAC name: (4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-4-hydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-(methyl-d3)-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one
Shipping Conditions
Room Temperature
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