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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 B07GpyhrJo4
Name 19-(ACETYL{2-[(METHYLSULFANYL)METHOXY]ETHYL}AMINO)-5-HYDROXYANDROSTAN-17-YL ACETATE
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Exact Mass 495.301844722 u
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 495.719 g/mol
Nominal Mass 495 u
Number of Peaks 202
SMILES OC12CCCCC1(C1CCC3(C(CCC3C1CC2)OC(=O)C)C)CN(CCOCSC)C(=O)C
SPLASH splash10-03di-9500000000-56d1649578e43be9f910
Source File Reference LMCM-66582-643Q
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms 7-hydroxy-15-methyl-2-[(N-{2-[(methylsulfanyl)methoxy]ethyl}acetamido)methyl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl acetate ACETIC ACID 10-{[ACETYL-(2-METHYLSULFANYLMETHOXY-ETHYL)-AMINO]-METHYL}-5-HYDROXY-13-METHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL ESTER
Wiley ID 8_13940