(3α,5β,7α,12α)-3,12-Dihydroxy-7-(sulfooxy)cholan-24-oic acid
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(3α,5β,7α,12α)-3,12-Dihydroxy-7-(sulfooxy)cholan-24-oic acid
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CAS No:
60320-05-0
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Formula:
C24H40O8S
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Chemical Name:
(3α,5β,7α,12α)-3,12-Dihydroxy-7-(sulfooxy)cholan-24-oic acid
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Synonyms:
Cholan-24-oic acid,3,12-dihydroxy-7-(sulfooxy)-,(3α,5β,7α,12α)-;(3α,5β,7α,12α)-3,12-Dihydroxy-7-(sulfooxy)cholan-24-oic acid;Cholic acid 7-sulfate;7-Sulfocholic acid
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CAS No:
Description
Solid
Solid
7-Sulfocholic acid is a cholanoid. It is a conjugate acid of a cholate 7-sulfate(2-).
(3α,5β,7α,12α)-3,12-Dihydroxy-7-(sulfooxy)cholan-24-oic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Sulfates [ST0502]
Computed Properties
Molecular Weight:488.6
XLogP3:3.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:488.24438940
Monoisotopic Mass:488.24438940
Topological Polar Surface Area:150
Heavy Atom Count:33
Complexity:855
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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