ChemicalBook--->CAS DataBase List--->2868-48-6

2868-48-6

2868-48-6 Structure

2868-48-6 Structure
IdentificationBack Directory
[Name]

HYODEOXYCHOLIC ACID METHYL ESTER
[CAS]

2868-48-6
[Synonyms]

METHYL HYODEOXYCHOLATE
HYODEOXYCHOLIC ACID METHYL ESTER
Hyodesoxycholic acid methyl ester
HYODEOXYCHOLIC ACID METHYL ESTER 98+%
3α,6α-Diol-5β-24-cholanoic acid methyl ester
3α,6α-Dihydroxy-5β-cholan-24-oic acid methyl ester
5-BETA-CHOLANIC ACID-3-ALPHA, 6-ALPHA-DIOL METHYL ESTER
3ALPHA,6ALPHA-DIHYDROXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER
3,6-dihydroxy-,methylester,(3alpha,5beta,6alpha)-cholan-24-oicaci
(4R)-Methyl 4-((3R,5R,6S,10R,13R,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[
(4R)-Methyl 4-((3R,5R,6S,10R,13R,17R)-3,6-dihydroxy-10,13-diMethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(R)-Methyl 4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
[Molecular Formula]

C25H42O4
[MDL Number]

MFCD00059509
[MOL File]

2868-48-6.mol
[Molecular Weight]

406.6
Chemical PropertiesBack Directory
[Melting point ]

86 °C
[Boiling point ]

507.6±25.0 °C(Predicted)
[density ]

1.089±0.06 g/cm3(Predicted)
[refractive index ]

8 ° (C=1, EtOH)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

Solid
[pka]

14.79±0.70(Predicted)
[color ]

White to Off-White
[InChIKey]

BWDRDVHYVJQWBO-QWXHOCAMSA-N
[SMILES]

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)OC
Hazard InformationBack Directory
[Chemical Properties]

Light Yellow Solid
[Uses]

Inhibits the oxidation of cholesterol. A cholesterol derivative with hemolytic properties.
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

HYODEOXYCHOLIC ACID METHYL ESTER(2868-48-6)MS
HYODEOXYCHOLIC ACID METHYL ESTER(2868-48-6)13CNMR
HYODEOXYCHOLIC ACID METHYL ESTER(2868-48-6)IR1
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