Welcome to our website!

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

  • 3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
Name:3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
CAS No:4651-67-6

PRODUCT DESCRIPTION

【Name】

3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID

6-Ethylchenodeoxycholic acid intermediates

【CAS Registry number】
4651-67-6
【Synonyms】
7-KETOLITHOCHOLIC ACID
3ALPHA-HYDROXY-7-KETO-5BETA-CHOLANIC ACID
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
5-BETA-CHOLANIC ACID-3-ALPHA-OL-7-ONE
3alpha-Hydroxy-7-oxo-5?cholanic acid
3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid
Hydroxycholanicacid
4-(3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetrade cahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
【EINECS(EC#)】
225-083-2
【Molecular Formula】
C24H38O4 (Products with the same molecular formula)
【Molecular Weight】
390.56
【Inchi】
InChI=1/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1
【Canonical SMILES】
CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C
【Isomers smiles】
CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)C[C@H]4C3(CC[C@H](C4)O)C)C
【MOL File】
4651-67-6.mol

Chemical and Physical Properties

【Density】
1.124g/cm3
【Melting Point】
205°C
【Boiling Point】
545.9°C at 760 mmHg
【Refractive Index】
1.535
【Flash Point】
298°C
【Computed Properties】
Molecular Weight:390.55612 [g/mol]
Molecular Formula:C24H38O4
XLogP3-AA:4.6
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:390.27701
MonoIsotopic Mass:390.27701
Topological Polar Surface Area:74.6
Heavy Atom Count:28
Formal Charge:0
Complexity:645
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Safety Statements 】
22-24/25

RELATED PRODUCTS