Cholan-24-oic-24-13C acid, 3,12-dihydroxy-, (3α,5β,12α)-
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Cholan-24-oic-24-13C acid, 3,12-dihydroxy-, (3α,5β,12α)-
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CAS No:
52886-37-0
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Formula:
C24H40O4
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Chemical Name:
Cholan-24-oic-24-13C acid, 3,12-dihydroxy-, (3α,5β,12α)-
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Synonyms:
Cholan-24-oic-24-13C acid,3,12-dihydroxy-,(3α,5β,12α)-;Deoxycholic-24-13C acid
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CAS No:
Cholan-24-oic-24-13C acid, 3,12-dihydroxy-, (3α,5β,12α)- Basic Attributes
393.58
393.296
DTXSID10736186
Safety Information
22-36/37/38
26
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:393.6
XLogP3:4.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:393.29601459
Monoisotopic Mass:393.29601459
Topological Polar Surface Area:77.8
Heavy Atom Count:28
Complexity:605
Isotope Atom Count:1
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Cholan-24-oic-24-13C acid, 3,12-dihydroxy-, (3α,5β,12α)-
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