12-Ketoursodeoxycholic Acid
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- structure.search.product.name 12-Ketoursodeoxycholic Acid
- Product Code: TRC-K315400
- CAS Number: 81873-91-8
- Brand: TRC
Product Overview
Product Code
TRC-K315400
CAS Number
Product Format
Neat
Molecular Formula
C24 H38 O5
Molecular Weight
406.56
API Family
Cholic AcidProduct Categories
Product Type
ImpurityPurity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
12-Ketoursodeoxycholic acid
CAS Number
81873-91-8
Molecular Formula
C24 H38 O5
Molecular Weight
406.56
Accurate Mass
406.2719
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
InChI
InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,22+,23+,24-/m1/s1
IUPAC
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family
Purity
>95% (HPLC)
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