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7-Oxolithocholic Acid

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7-Oxolithocholic Acid / CAS : 4651-67-6

Appearance solid UN -
HS 29181900 DG Class -
Synonyms 3α-Hydroxy-7-Keto-5β-Cholanic Acid; 3Alpha-Hydroxy-7-Oxo-5Beta-Cholanic Acid; 3α-Hydroxy-7-Oxo-5β-Cholanic Acid; 3A-Hydroxy-7-Oxo-5B-Cholanic Acid; Nutriacholic Acid; 7-Ketolithocholic Acid
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Properties

Summary

Formula
C24H38O4
Molecular Mass
390.55600
Exact Mass
390.27700
PSA
74.60000
Logp
4.68610
IUPAC
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Melting Point
205ºC
Density
1.124g/cm3
Boiling Point
545.9ºC
Flash Point
298ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29181900
Export Rebate
13%

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