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7a-Hydroxy-3-oxo-5b-cholanoic acid structure, CAS 4185-00-6

7a-Hydroxy-3-oxo-5b-cholanoic acid

CAS Number4185-00-6

Synonyms3-Oxo-7Alpha-hydroxy-5Beta-cholanoic Acid; Androstan-3-one,(5b); Dehydrochenodeoxycholic acid

Molecular FormulaC24H38O4

Molecular Weight390.56

Purity

Density1.124±0.06g/ml(Predicted)

Boiling Point545.9±25.0℃(Predicted)

Melting Point111-114℃

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-3179670 Purity:
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Quality Control of [ 4185-00-6 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number4185-00-6
Catalog No.2A-3179670
Chinese Name奥贝胆酸杂质17
Synonyms3-Oxo-7Alpha-hydroxy-5Beta-cholanoic Acid; Androstan-3-one,(5b); Dehydrochenodeoxycholic acid
Molecular FormulaC24H38O4
Molecular Weight390.56
Density1.124±0.06g/ml(Predicted)
Boiling Point545.9±25.0℃(Predicted)
Melting Point111-114℃
Storage Condition2-8℃, sealed, dry
PubChem ID7851048
MDL NumberMFCD00273049
SMILESCC(CCC(=O)O)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/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/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChI KeyKNVADAPHVNKTEP-CIGXQKLNSA-N
NACRES CodeNA.25
UNSPSC12352211
Transport InfoProduct name: 3-Oxo7α-hydroxy-5β-cholic acid
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