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911-40-0

911-40-0 Structure

911-40-0 Structure
IdentificationBack Directory
[Name]

7-KETODEOXYCHOLIC ACID
[CAS]

911-40-0
[Synonyms]

7-DEHYDROCHOLIC ACID
7-Oxodeoxycholic Acid
7-KETODEOXYCHOLIC ACID
7-Ketodeoxycholic acida
Deoxycholic Acid 7-Oxo Impurity
Ursodeoxycholic Acid Impurity 11
5β-Cholanic Acid-3α,12α-diol-7-one
5β-CHOLANIC acid-3α, 12α-DIOL-7-ONE
7-Keto-3α,12-α-dihydroxycholanic Acid
7-Keto-3α,12-α-dihydroxycholanic Acid
3,12-DIHYDROXY-7-OXOCHOLAN-24-OIC ACID
3α,12α-Dihydroxy-7-keto-5β-cholanic Acid
7-Keto-3alpha,12alpha-dihydroxycholanic acid
3a,12a-dihydroxy-7-oxo-5b-cholan-24-oic acid
3α,12α-dihydroxy-7-keto-5β-cholan-24-oic acid
3α,12α-dihydroxy-7-keto-5β-cholan-24-oic acid
5-BETA-CHOLANIC ACID-3-ALPHA, 12-ALPHA-DIOL-7-ONE
3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid
(3α,5β,12α)-3,12-Dihydroxy-7-oxo-cholan-24-oic Acid
Cholan-24-oic acid,3,12-dihydroxy-7-oxo-, (3a,5b,12a)-
Cholan-24-oic acid, 3,12-dihydroxy-7-oxo-, (3α,5β,12α)-
[Molecular Formula]

C24H38O5
[MDL Number]

MFCD00271373
[MOL File]

911-40-0.mol
[Molecular Weight]

406.56
Chemical PropertiesBack Directory
[Melting point ]

54-60°C
[Boiling point ]

583.0±50.0 °C(Predicted)
[density ]

1.180±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.76±0.10(Predicted)
[color ]

Off-White to Yellow
[InChIKey]

RHCPKKNRWFXMAT-RRWYKFPJSA-N
[SMILES]

O[C@@H]1[C@]2([C@H]([C@H]3[C@@H]([C@@]4([C@@H](C[C@@H](CC4)O)CC3=O)C)C1)CC[C@@H]2[C@@H](CCC(=O)O)C)C
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P302+P352-P304+P340-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Greenish Yellow Solid
[Uses]

7-Keto-3α,12-α-dihydroxycholanic Acid (cas# 911-40-0) is a compound useful in organic synthesis.
[Definition]

ChEBI: 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid is a 7-oxo steroid and an oxo-5beta-cholanic acid. It is a conjugate acid of a 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate.
Spectrum DetailBack Directory
[Spectrum Detail]

7-KETODEOXYCHOLIC ACID(911-40-0)1HNMR
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