3beta-Acetoxy-5alpha-pregnan-20-one

HCID 227113
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Basic information

CAS
906-83-2
Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1
InChIKey
GFHOQCXDABGYAL-POBGKJHXSA-N
Molecular formula
C23H36O3
Average molar mass
360.5 g/mol

Overview

3beta-Hydroxy-5alpha-pregnan-20-one acetate is a steroid ester.

Names & identifiers

Preferred name
3beta-Acetoxy-5alpha-pregnan-20-one
IUPAC
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
English name
Allopregnanolone acetate
Molecular formula
C23H36O3
Molecular weight
360.53

Names & synonyms

3beta-Acetoxy-5alpha-pregnan-20-one906-83-23beta-Hydroxy-5alpha-pregnan-20-one acetate[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateAllopregnan-3.beta.-ol-20-one acetateAllopregnanolone acetate5alpha-Pregnan-3beta-ol-20-one 3beta-acetate20-Oxopregnan-3-yl acetate #5?-Pregnan-3?-ol-20-one 3?-acetateA-Pregnan-35|A-Pregnan-3|A-ol-20-one 3|A-acetate20-OXO-5-BETA-PREGNAN-3-BETA-YL ACETATE
Show more names
-Acetate-Pregnan-3β-ol-20-one3βAllogenein acetateEPIALLOPREGNANOLONE ACETATE5α-PREGNAN-3β-OL-20-ONE ACETATEAllopregnan-3β-ol-20-one acetate5A-pregnan-3B-ol-20-one 3B-acetateAllopregnan-3.β.-ol-20-one acetate
SCHEMBL6430295.alpha.-Pregnan-20-one, 3.beta.-hydroxy-, acetateCHEBI:79918Pregnan-20-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-Pregnan-3-.beta.-acetoxy-20-oneNSC183185.alpha.-Pregnan-20-one, acetateNSC-18318

Database identifiers

CAS
906-83-2
PubChem CID
227113
ChEBI
CHEBI:79918
EC Number
149-048-5
Nikkaji
J144.135C

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
26

Physicochemical properties

Melting point
143 °C · 143 °C
Boiling point
443.7 · 443.7±18.0 °C(Predicted)
Density
1.07 · 1.07±0.1 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses5α-Pregnan-3β-ol-20-one 3β-Acetate is a derivative of Pregnenolone (P712200); a steroid hormone involved in the steroidogenesis of progesterone, mineralocorticoids, glucocorticoids, androgens, and estrogens. As such it is a prohormone. Pregnenolone is a GABAA antagonist and increases neurogenesis in the hippocampus. It is a modulator of cytochrome P 450-3A.

Suppliers42 total

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
济南诚汇双达生物有限公司053158897070 15550412551
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Additional notes

DefinitionChEBI: 3beta-Hydroxy-5alpha-pregnan-20-one acetate is a steroid ester.

Related reactions

1 records
New reaction record

Compound notes

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