ChemicalBook--->CAS DataBase List--->53-42-9

53-42-9

53-42-9 Structure

53-42-9 Structure
IdentificationMore
[Name]

Etiocholanone
[CAS]

53-42-9
[Synonyms]

3ALPHA-ETIOCHOLANOLONE
3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE
5BETA-ANDROSTAN-3ALPHA-OL-17-ONE
5BETA-ANDROSTAN-3A-OL-17-ONE
5BETA-ANDROSTERONE
ETIOCHOLAN-3ALPHA-OL-17-ONE
ETIOCHOLAN-3A-OL-17-ONE
ETIOCHOLANOLON
ETIOCHOLANOLONE
ETIOCHOLANONE
5beta-Androstan-17-one, 3alpha-hydroxy-
5-Isoandrosterone
Androstan-17-one, 3-hydroxy-, (3alpha,5beta)-
Androstan-3alpha-ol-17-one
Androsterone, (5beta)-
etiocholan-3A-ol-17-one crystalline
ETIOCHOLANOLONE (5B-ANDROSTAN-3A-OL-17-O NE)
5BETA-ANDROSTAN-3ALPHA-OL-17-ON 98%
ETIOCHOLANOLONE VETRANAL, 100 MG
etiocholan-3α-ol-17-one
[EINECS(EC#)]

200-835-2
[Molecular Formula]

C19H30O
[MDL Number]

MFCD00064133
[Molecular Weight]

274.44
[MOL File]

53-42-9.mol
Chemical PropertiesBack Directory
[Melting point ]

148~150℃
[Boiling point ]

392.52°C (rough estimate)
[density ]

0.9731 (rough estimate)
[refractive index ]

1.5360 (estimate)
[Fp ]

2℃
[storage temp. ]

room temp
[solubility ]

DMSO: 100 mg/mL (344.31 mM)
[form ]

A solid
[pka]

15.14±0.60(Predicted)
[color ]

White to off-white
[Water Solubility ]

20.33mg/L(25 ºC)
[BRN ]

2217625
[InChI]

1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
[InChIKey]

QGXBDMJGAMFCBF-BNSUEQOYSA-N
[SMILES]

C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O
[CAS DataBase Reference]

53-42-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Androstan-17-one, 3-hydroxy-, (3«alpha»,5«beta»)-(53-42-9)
Safety DataBack Directory
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-20/21/22-36
[Safety Statements ]

16-36/37
[RIDADR ]

UN 1648 3 / PGII
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Hazard InformationBack Directory
[Uses]

5β-Androsterone is a metabolite of Testosterone (T155000). β-Androsterone is a stereoisomer of Androsterone (A637535). 5β-Androsterone showed a weak estrogenic action.
[Definition]

ChEBI: An androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals.
[in vivo]

Etiocholanolone (intraperitoneal injection; 0-109.1 mg/kg; single dose) exhibits ED50 values of 57.6 and 109.1 mg/kg in the 6-Hz and PTZ tests, respectively. Protective activity in the 6-Hz test of 5β,3α-A persists for 2 h and is shorter than ent-5β,3α-A treatment (3 hours) in mice[1].

[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

Etiocholanone(53-42-9)1HNMR
Etiocholanone(53-42-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

53-42-9(sigmaaldrich)
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