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21-(Acetyloxy)-19-[(methanesulfonyl)oxy]-pregn-4-ene-3,20-dione

View entire compound with spectra: 1 MS (GC)

21-(Acetyloxy)-19-[(methanesulfonyl)oxy]-pregn-4-ene-3,20-dione
SpectraBase Compound ID BXRHAaNXuG2
InChI InChI=1S/C24H34O7S/c1-15(25)30-13-22(27)21-7-6-19-18-5-4-16-12-17(26)8-11-24(16,14-31-32(3,28)29)20(18)9-10-23(19,21)2/h12,18-21H,4-11,13-14H2,1-3H3/t18-,19-,20-,21+,23-,24+/m0/s1
InChIKey HHZRGRAEEFUCFE-PYSZQBSGSA-N
Mol Weight 466.6 g/mol
Molecular Formula C24H34O7S
Exact Mass 466.202525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6rQootLfUJ
Name 21-(Acetyloxy)-19-[(methanesulfonyl)oxy]-pregn-4-ene-3,20-dione
Alternate Name(s) 2-((8S,9S,10S,13S,14S,17S)-13-methyl-10-(((methylsulfonyl)oxy)methyl)-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate Acetic acid [2-[(8S,9S,10S,13S,14S,17S)-13-methyl-10-(methylsulfonyloxymethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester [2-[(8S,9S,10S,13S,14S,17S)-13-methyl-10-(methylsulfonyloxymethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate [2-[(8S,9S,10S,13S,14S,17S)-13-methyl-10-(methylsulfonyloxymethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate [2-[(8S,9S,10S,13S,14S,17S)-13-methyl-10-(methylsulfonyloxymethyl)-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
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Formula C24H34O7S
InChI InChI=1S/C24H34O7S/c1-15(25)30-13-22(27)21-7-6-19-18-5-4-16-12-17(26)8-11-24(16,14-31-32(3,28)29)20(18)9-10-23(19,21)2/h12,18-21H,4-11,13-14H2,1-3H3/t18-,19-,20-,21+,23-,24+/m0/s1
InChIKey HHZRGRAEEFUCFE-PYSZQBSGSA-N
Molecular Weight 466.589 g/mol
SMILES [C@@]12(C(=CC(CC2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(C(COC(=O)C)=O)[H])[H])[H])COS(=O)(=O)C
SPLASH splash10-0006-9020000000-da4e8230c55b215f77f3
Source of Spectrum F5-5-2456-11
Wiley ID 1733249