Cholic Acid 3-O-Beta-Glucuronide Disodium Salt
Product Code
TRC-C432625
CAS Number
Product Format
Neat
Molecular Formula
C30 H46 O11 . 2 Na
Molecular Weight
628.66
API Family
Cholic AcidProduct Categories
TRC, Hormones, Bile acids, Hormones, Steroids and derivatives, Hormones, Steroids and derivatives
Alternate CAS Number
Purity
>95% (HPLC)
Drug Type
Steroids / Hormones
Documentation
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Product Information
Chemical Data
Analyte Name
Cholic Acid 3-O-beta-Glucuronide Disodium Salt
CAS Number
59274-69-0
Molecular Formula
C30 H46 O11 . 2 Na
Molecular Weight
628.66
Accurate Mass
628.2836
SMILES
[Na+].[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)[O-]
InChI
InChI=1S/C30H48O11.2Na/c1-13(4-7-21(33)34)16-5-6-17-22-18(12-20(32)30(16,17)3)29(2)9-8-15(10-14(29)11-19(22)31)40-28-25(37)23(35)24(36)26(41-28)27(38)39;;/h13-20,22-26,28,31-32,35-37H,4-12H2,1-3H3,(H,33,34)(H,38,39);;/q;2*+1/p-2/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-;;/m1../s1
IUPAC
disodium;(2S,3S,4S,5R,6R)-6-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-carboxylatobutan-2-yl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate
Alternate CAS Number
Free acid: 76060-22-5
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
Purity
>95% (HPLC)
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