7-Ketodeoxycholic acid
-
7-Ketodeoxycholic acid
structure -
-
CAS No:
911-40-0
-
Formula:
C24H38O5
-
Chemical Name:
7-Ketodeoxycholic acid
-
Synonyms:
Cholan-24-oic acid,3,12-dihydroxy-7-oxo-,(3α,5β,12α)-;5β-Cholan-24-oic acid,3α,12α-dihydroxy-7-oxo-;5β-Cholanic acid,3α,12α-dihydroxy-7-oxo-;(3α,5β,12α)-3,12-Dihydroxy-7-oxocholan-24-oic acid;3α,12α-Dihydroxy-7-oxo-5β-cholanoic acid;3α,12α-Dihydroxy-7-ketocholanic acid;3α,12α-Dihydroxy-7-oxo-5β-cholan-24-oic acid;7-Ketodeoxycholic acid;7-Oxo-3α,12α-dihydroxycholan-24-oic acid;3α,12α-Dihydroxy-7-keto-5β-cholanic acid;5β-Cholanic acid-3α,12α-diol-7-one;7-keto-3α,12α-Dihydroxy-5β-cholanic acid;7-Oxodeoxycholic acid;7-Oxo-3α,12α-dihydroxy-5β-cholanoic acid;7-keto-Deoxycholic acid
-
CAS No:
Description
Greenish Yellow Solid
Solid
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.
Characteristics
94.83000
3.65690
Solid
1.18g/cm3
140-145 °C
583ºC at 760mmHg
320.4ºC
1.55
204.2 Ų [M-H]- [CCS Type: DT, Method: single field calibrated]|186.6 Ų [M+H-2H2O]+ [CCS Type: DT, Method: single field calibrated]|204.8 Ų [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated]|202.1 Ų [M+HCOO]- [CCS Type: DT, Method: single field calibrated]|203.2 Ų [M+K-2H]- [CCS Type: DT, Method: single field calibrated]|205.6 Ų [M+K-H+HCOO]- [CCS Type: DT, Method: single field calibrated]|200.4 Ų [M+Na-H+Cl]- [CCS Type: DT, Method: single field calibrated]|204.1 Ų [M+Na-H+HCOO]- [CCS Type: DT, Method: single field calibrated]|204.5 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated]
7-Ketodeoxycholic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Computed Properties
Molecular Weight:406.6
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:406.27192431
Monoisotopic Mass:406.27192431
Topological Polar Surface Area:94.8
Heavy Atom Count:29
Complexity:676
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8