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(3R*, 7S*, 11S*)-2-Methyl-N-tosyl-5-azatricyclo[9.3.0.0(3,7)]tetradec-1-ene-9-one
SpectraBase Compound ID DiMItKHQwU5
InChI InChI=1S/C21H27NO3S/c1-14-6-8-19(9-7-14)26(24,25)22-12-17-11-18(23)10-16-4-3-5-20(16)15(2)21(17)13-22/h6-9,16-17,21H,3-5,10-13H2,1-2H3/b20-15-/t16-,17+,21-/m0/s1
InChIKey GBVIEPYHSURJNI-KTTNNFCMSA-N
Mol Weight 373.51 g/mol
Molecular Formula C21H27NO3S
Exact Mass 373.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHWvSTeG0wV
Name (3R*, 7S*, 11S*)-2-Methyl-N-tosyl-5-azatricyclo[9.3.0.0(3,7)]tetradec-1-ene-9-one
Alternate Name(s) (3aS,6aS,10aR,Z)-10-methyl-2-tosyl-1,2,3,3a,4,6a,7,8,9,10a-decahydrocyclopenta[4,5]cycloocta[1,2-c]pyrrol-5(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO3S
InChI InChI=1S/C21H27NO3S/c1-14-6-8-19(9-7-14)26(24,25)22-12-17-11-18(23)10-16-4-3-5-20(16)15(2)21(17)13-22/h6-9,16-17,21H,3-5,10-13H2,1-2H3/b20-15-/t16-,17+,21-/m0/s1
InChIKey GBVIEPYHSURJNI-KTTNNFCMSA-N
Literature Reference DOI 10.1002/asia.201000053
Molecular Weight 373.511 g/mol
SMILES [C@@]12(\C(=C/([C@]3([C@](CC(C2)=O)(CN(C3)S(c2ccc(cc2)C)(=O)=O)[H])[H])C)CCC1)[H]
SPLASH splash10-00kf-9374000000-8a410b725e4af0efb5a3
Source of Spectrum CAJ-5-1555/SM17-17b
Wiley ID 1774653