Digoxigenin Bisdigitoxoside
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Product Overview
Product Code
TRC-D446500
CAS Number
Product Format
Neat
Molecular Formula
C35 H54 O11
Molecular Weight
650.80
API Family
DigoxinProduct Categories
TRC - Toronto Research Chemicals, Steroids and derivatives, Hormones, Impurity Reference Materials , Hormones, Hormones, Steroids and derivatives
Purity
>95% (HPLC)
Drug Type
Steroids / Hormones
Documentation
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Product Information
Chemical Data
Analyte Name
Digoxigenin Bisdigitoxoside
CAS Number
5297-05-2
Molecular Formula
C35 H54 O11
Molecular Weight
650.80
Accurate Mass
650.3666
SMILES
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C3)O[C@@H]2C
InChI
InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24+,25+,26+,27-,29+,30+,31-,32-,33+,34+,35+/m1/s1
IUPAC
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Bioactive small molecule; Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
Product Description
A metabolite of Digoxin (Dx) (D446575).
References: Fujii, Y., et al.: Clin. Chem., 37, 476
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