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(3S*, 7R*, 11S*)-N-Tosyl-7-methyl-5-azatricyclo[9.3.0.0(3,7)]tetradec-1-ene-9-one
SpectraBase Compound ID 8hdTNGlgvti
InChI InChI=1S/C21H27NO3S/c1-15-6-8-20(9-7-15)26(24,25)22-13-18-10-16-4-3-5-17(16)11-19(23)12-21(18,2)14-22/h6-10,17-18H,3-5,11-14H2,1-2H3/b16-10-/t17-,18+,21-/m0/s1
InChIKey WJRODSPWVUMIRH-OBXBFGOJSA-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 Brf4zqU8jkt
Name (3S*, 7R*, 11S*)-N-Tosyl-7-methyl-5-azatricyclo[9.3.0.0(3,7)]tetradec-1-ene-9-one
Alternate Name(s) (3aR,6aS,10aS,Z)-3a-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/c1-15-6-8-20(9-7-15)26(24,25)22-13-18-10-16-4-3-5-17(16)11-19(23)12-21(18,2)14-22/h6-10,17-18H,3-5,11-14H2,1-2H3/b16-10-/t17-,18+,21-/m0/s1
InChIKey WJRODSPWVUMIRH-OBXBFGOJSA-N
Literature Reference DOI 10.1002/asia.201000053
Molecular Weight 373.511 g/mol
SMILES [C@@]12(\C(=C/[C@]3([C@@](CC(=O)C2)(CN(C3)S(c2ccc(cc2)C)(=O)=O)C)[H])CCC1)[H]
SPLASH splash10-0296-9435000000-0730eaec3edda62e7fb0
Source of Spectrum CAJ-5-1555/SM16-11
Wiley ID 1774647