For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Pregn-5-en-20-one, 21-(acetyloxy)-3-hydroxy-, (3.beta.)-

View entire compound with spectra: 2 MS (GC)

Pregn-5-en-20-one, 21-(acetyloxy)-3-hydroxy-, (3.beta.)-
SpectraBase Compound ID HpRsbOhDCJA
InChI InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3
InChIKey MDJRZSNPHZEMJH-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CDL0NAKkVHO
Name Pregn-5-en-20-one, 21-(acetyloxy)-3-hydroxy-, (3.beta.)-
CAS Registry Number 566-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3
InChIKey MDJRZSNPHZEMJH-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES OC1CC=2C(C3C(C4C(C)(CC3)C(CC4)C(COC(C)=O)=O)CC2)(C)CC1
SPLASH splash10-0pbc-7922000000-7e916329e73f3e753534
Synonyms 3-Hydroxy-20-oxopregn-5-en-21-yl acetate (3.beta.)-21-(Acetyloxy)-3-hydroxypregn-5-en-20-one 21-Acetoxy-3.beta.-hydroxypregn-5-en-20-one 21-Acetoxypregnenolone 3-beta,21-dihydroxypregn-5-en-20-one 21-acetate 3.beta.-Hydroxy-21-acetoxypregn-5-en-20-one A.O.P. Acetoxanon Artisone Artisone Acetate Artixone acetate Prebediolone acetate Pregn-5-en-20-one, 3.beta.,21-dihydroxy-, 21-acetate Pregnenolone 21-acetate Acetic acid [2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester [2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate [2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate [2-(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate EINECS 209-298-9 NSC 66372
Wiley ID 1509371