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19-(Acetyl(2-[(methylsulfanyl)methoxy]ethyl)amino)-5-hydroxyandrostan-17-yl acetate

View entire compound with spectra: 3 MS (GC)

19-(Acetyl(2-[(methylsulfanyl)methoxy]ethyl)amino)-5-hydroxyandrostan-17-yl acetate
SpectraBase Compound ID KFDsPICrmmi
InChI InChI=1S/C27H45NO5S/c1-19(29)28(15-16-32-18-34-4)17-26-11-5-6-12-27(26,31)14-9-21-22-7-8-24(33-20(2)30)25(22,3)13-10-23(21)26/h21-24,31H,5-18H2,1-4H3
InChIKey XFYLVHIWJVDPOI-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C27H45NO5S
Exact Mass 495.301845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nL13WtpIlr
Name ACETIC ACID, 10-{[ACETYL-(2-METHYLSULFANYLMETHOXYETHYL)AMINO]METHYL}-5-HYDROXY-13-METHYLHEXADECAHYDROCYCLOPENTA[a]PHENANTHREN-17
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Formula C27H45NO5S
InChI InChI=1S/C27H45NO5S/c1-19(29)28(15-16-32-18-34-4)17-26-11-5-6-12-27(26,31)14-9-21-22-7-8-24(33-20(2)30)25(22,3)13-10-23(21)26/h21-24,31H,5-18H2,1-4H3
InChIKey XFYLVHIWJVDPOI-UHFFFAOYSA-N
Molecular Weight 495.3007
SMILES OC12C(CN(C(C)=O)CCOCSC)(C3C(C4CCC(OC(C)=O)C4(C)CC3)CC1)CCCC2
SPLASH splash10-03di-9500000000-56d1649578e43be9f910
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany