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3-Acetoxy-16(E)-chloromethyleneandrost-5-en-17-one

View entire compound with spectra: 1 MS (GC)

3-Acetoxy-16(E)-chloromethyleneandrost-5-en-17-one
SpectraBase Compound ID 2apaLHv3LK1
InChI InChI=1S/C22H29ClO3/c1-13(24)26-16-6-8-21(2)15(11-16)4-5-17-18(21)7-9-22(3)19(17)10-14(12-23)20(22)25/h4,12,16-19H,5-11H2,1-3H3/b14-12+/t16?,17-,18+,19+,21+,22+/m1/s1
InChIKey SWJRAAWBKZXCRU-ZRTVBBIDSA-N
Mol Weight 376.92 g/mol
Molecular Formula C22H29ClO3
Exact Mass 376.180522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XOhnXEYRq
Name 3-Acetoxy-16(E)-chloromethyleneandrost-5-en-17-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29ClO3
InChI InChI=1S/C22H29ClO3/c1-13(24)26-16-6-8-21(2)15(11-16)4-5-17-18(21)7-9-22(3)19(17)10-14(12-23)20(22)25/h4,12,16-19H,5-11H2,1-3H3/b14-12+/t16?,17-,18+,19+,21+,22+/m1/s1
InChIKey SWJRAAWBKZXCRU-ZRTVBBIDSA-N
Molecular Weight 376.924 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(OC(=O)C)C4)C)[H])(C\C(C1=O)=C/Cl)[H])C
SPLASH splash10-014i-0009000000-b18a6a9d0549c68bc596
Source of Spectrum AT-38-1846-3
Synonyms 16-(chloromethylene)-17-oxoandrost-5-en-3-yl acetate acetic acid[(8R,9S,10R,13S,14S,16E)-16-(chloromethylene)-17-keto-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester acetic acid[(8R,9S,10R,13S,14S,16E)-16-(chloromethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(8R,9S,10R,13S,14S,16E)-16-(chloranylmethylidene)-10,13-dimethyl-17-oxidanylidene-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(8R,9S,10R,13S,14S,16E)-16-(chloromethylene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(8R,9S,10R,13S,14S,16E)-16-(chloromethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate acetic acid [(8R,9S,10R,13S,14S,16E)-16-(chloromethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(8R,9S,10R,13S,14S,16E)-16-(chloromethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(8R,9S,10R,13S,14S,16E)-16-(chloromethylene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(8R,9S,10R,13S,14S,16E)-16-(chloranylmethylidene)-10,13-dimethyl-17-oxidanylidene-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 853798