Cas no 17916-30-2 (Pregn-5-en-20-one,3-(acetyloxy)-, 20-oxime, (3b)-)
17916-30-2 structure
Product Name:Pregn-5-en-20-one,3-(acetyloxy)-, 20-oxime, (3b)-
CAS No:17916-30-2
MF:C23H35NO3
MW:373.528907060623
CID:196534
PubChem ID:5339412
Update Time:2025-04-19
Pregn-5-en-20-one,3-(acetyloxy)-, 20-oxime, (3b)- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-5-en-20-one,3-(acetyloxy)-, 20-oxime, (3b)-
- 3beta-hydroxypregn-5-en-20-one oxime 3-acetate
- (20E)-20-(hydroxyimino)pregn-5-en-3-yl acetate
- 20-(hydroxyimino)pregn-5-en-3-yl acetate
- Pregn-5-en-20-one, 3beta-hydroxy-, oxime, acetate (ester)
- Einecs 241-859-3
- 3β-Acetoxypregna-5-ene-20-oneoxime
- 3β-(Acetyloxy)pregn-5-en-20-one oxime
- F3161-0238
- 17916-30-2
- SCHEMBL17432756
- NSC86004
- AKOS016303523
- (E)-17-(1-(hydroxyimino)ethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
- 17-(1-HYDROXYIMINOETHYL)-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ACETATE
- AKOS000621306
- NSC-86004
- [17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
-
- Inchi： 1S/C23H35NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21,26H,6-13H2,1-4H3/b24-14+
- InChI Key： DGKAJFBWCOTIQA-ZVHZXABRSA-N
- SMILES： O(C(C)=O)C1CCC2(C)C(C1)=CCC1C2CCC2(C)C(/C(/C)=N/O)CCC21
Computed Properties
- Exact Mass: 373.26169398g/mol
- Monoisotopic Mass: 373.26169398g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 683
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 58.9?2
Pregn-5-en-20-one,3-(acetyloxy)-, 20-oxime, (3b)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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