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1.beta.-(p-toluenesulfonamido)-4.beta.-hydroxy-6.alpha.-(benzyloxy)-2-cycloheptene
SpectraBase Compound ID 8SbN8bjmAWb
InChI InChI=1S/C21H25NO4S/c1-16-7-11-21(12-8-16)27(24,25)22-18-9-10-19(23)14-20(13-18)26-15-17-5-3-2-4-6-17/h2-12,18-20,22-23H,13-15H2,1H3/t18-,19+,20+/m0/s1
InChIKey JXIQVNCSDTUECO-XUVXKRRUSA-N
Mol Weight 387.49 g/mol
Molecular Formula C21H25NO4S
Exact Mass 387.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KK152Mg76ec
Name 1.beta.-(p-toluenesulfonamido)-4.beta.-hydroxy-6.alpha.-(benzyloxy)-2-cycloheptene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO4S
InChI InChI=1S/C21H25NO4S/c1-16-7-11-21(12-8-16)27(24,25)22-18-9-10-19(23)14-20(13-18)26-15-17-5-3-2-4-6-17/h2-12,18-20,22-23H,13-15H2,1H3/t18-,19+,20+/m0/s1
InChIKey JXIQVNCSDTUECO-XUVXKRRUSA-N
Molecular Weight 387.494 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@]1(C=C[C@](C[C@@](C1)(OCc1ccccc1)[H])(O)[H])[H]
SPLASH splash10-0006-9310000000-80001773386658878a8c
Source of Spectrum J-56-2772-10
Synonyms N-[(1R,4S,6R)-6-(benzyloxy)-4-hydroxy-2-cyclohepten-1-yl]-4-methylbenzenesulfonamide
Wiley ID 1363395