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|Clostebol acetate
Clostebol acetate
Names: Clostebol acetate (primary)
Acetic acid [(8R,9S,10R,13R,14S,17S)-4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester (IUPAC CAS-like)
Acetic acid [(8R,9S,10R,13R,14S,17S)-4-chloro-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester (IUPAC traditional)
[(8R,9S,10R,13R,14S,17S)-4-Chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate (IUPAC allowed; IUPAC preferred)
[(8R,9S,10R,13R,14S,17S)-4-Chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate (IUPAC systematic)
(17β)-4-Chloro-3-oxoandrost-4-en-17-yl acetate (IUPAC ACD/Name)
Molecular formula: C21H29ClO3
Nominal mass: 364
Average mass: 364.9062
Monoisotopic mass: 364.180522
CAS registry number: 855-19-6
ChemSpider: 12762
PubChem: 29920021 29920018 16394602 11726320 11869654 7659350 7659347 7659346 7659343 13327
Wikipedia: Clostebol
Erowid: Steroids
Standard InChI: InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1
Standard InChIKey: XYGMEFJSKQEBTO-KUJXMBTLSA-N
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=C(C(=O)CC[C@@]4(C)[C@H]3CC[C@]12C)Cl
Tags: steroid ester
 
Property Value Remarks
Property Value Remarks
Location Type Remarks
clostebol acetate.pdf ATR IR Thermo Nicolet
clostebol acetate ms.pdf EI MS Agilent MSD
Vendor ID URL
Grace Davison (Alltech) 01489 http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Sigma Aldrich 33755 http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=33755|FLUKA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Sigma Aldrich C7919 http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=C7919|SIGMA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Title Publication Date Vol. Iss. Page(s) Remarks
Title Publication Date Vol. Iss. Page(s) Remarks
Database ID URL
Instrumental Data for Drug Analysis 3rd Edition Vol 1 Pg 724
Analytical Profiles of The Anabolic Steroids CND Analytical 1989 Pg 17
Mass Spectra and GC Data of Steroids: Androgens and Estrogens, Wiley-VCH, 1998 ISBN 3-527-29644-1 Pg 347
SWGDRUG Mass Spectral Library 1466 http://www.swgdrug.org/ms.htm
Clarke's Analysis of Drugs and Poisons 3rd Edition Pg 839
Substance name
Clostebol
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