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(9S,18R)-9-{[1-(tert-butyl)-1,1-dimethylsilyl]oxy]-18-methyl-12,13-(thioxomethylenedioxy)-20-aza-(2E,4E,6E,12E,14E,16E)-cycloicosahexaene-1-one

View entire compound with spectra: 1 MS (GC)

(9S,18R)-9-{[1-(tert-butyl)-1,1-dimethylsilyl]oxy]-18-methyl-12,13-(thioxomethylenedioxy)-20-aza-(2E,4E,6E,12E,14E,16E)-cycloicosahexaene-1-one
SpectraBase Compound ID 5FSK8fXKNSh
InChI InChI=1S/C27H39NO4SSi/c1-21-14-12-13-16-23-24(31-26(33)30-23)19-18-22(32-34(5,6)27(2,3)4)15-10-8-7-9-11-17-25(29)28-20-21/h7-14,16-19,21-24H,15,20H2,1-6H3,(H,28,29)/b9-7+,10-8+,14-12+,16-13+,17-11+,19-18+/t21-,22+,23?,24?/m1/s1
InChIKey SNCDCDHALLQZRW-WNSHUQKGSA-N
Mol Weight 501.8 g/mol
Molecular Formula C27H39NO4SSi
Exact Mass 501.236906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MW9tqvFBkp
Name (9S,18R)-9-{[1-(tert-butyl)-1,1-dimethylsilyl]oxy]-18-methyl-12,13-(thioxomethylenedioxy)-20-aza-(2E,4E,6E,12E,14E,16E)-cycloicosahexaene-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39NO4SSi
InChI InChI=1S/C27H39NO4SSi/c1-21-14-12-13-16-23-24(31-26(33)30-23)19-18-22(32-34(5,6)27(2,3)4)15-10-8-7-9-11-17-25(29)28-20-21/h7-14,16-19,21-24H,15,20H2,1-6H3,(H,28,29)/b9-7+,10-8+,14-12+,16-13+,17-11+,19-18+/t21-,22+,23?,24?/m1/s1
InChIKey SNCDCDHALLQZRW-WNSHUQKGSA-N
Molecular Weight 501.757 g/mol
SMILES N1C[C@@](\C=C\C=C\C2OC(OC2\C=C\[C@](C\C=C\C=C\C=C\C1=O)(O[Si](C(C)(C)C)(C)C)[H])=S)(C)[H]
SPLASH splash10-004i-9400120000-a5a5b548e3f3235c460b
Source of Spectrum QE-7-3375-41
Synonyms (9S,18R)-9-{[1-(tert-butyl)-1,1-dimethylsilyl]oxy]-18-methyl-12,13-(thioxomethylenedioxy)-20-aza-(2E,4E,6E,10E,14E,16E)-cycloicosahexaene-1-one
Wiley ID 845714