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(3aS,4E,2'S)-4-(2',3'-Diacetoxypropylidene)-2-tosyl-2,3,3a,4-tetrahydro-1H-cyclopenta[c]purrole-5-one
SpectraBase Compound ID 4xJQUTHjFqM
InChI InChI=1S/C21H23NO7S/c1-13-4-6-18(7-5-13)30(26,27)22-10-16-8-21(25)19(20(16)11-22)9-17(29-15(3)24)12-28-14(2)23/h4-9,17,20H,10-12H2,1-3H3/b19-9+/t17-,20-/m0/s1
InChIKey HFLNCBSWOCEIEB-JTOLNUPUSA-N
Mol Weight 433.48 g/mol
Molecular Formula C21H23NO7S
Exact Mass 433.119523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0XgprMB6uZ
Name (3aS,4E,2'S)-4-(2',3'-Diacetoxypropylidene)-2-tosyl-2,3,3a,4-tetrahydro-1H-cyclopenta[c]purrole-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO7S
InChI InChI=1S/C21H23NO7S/c1-13-4-6-18(7-5-13)30(26,27)22-10-16-8-21(25)19(20(16)11-22)9-17(29-15(3)24)12-28-14(2)23/h4-9,17,20H,10-12H2,1-3H3/b19-9+/t17-,20-/m0/s1
InChIKey HFLNCBSWOCEIEB-JTOLNUPUSA-N
Molecular Weight 433.475 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CC2=CC(\C([C@@]12[H])=C/[C@](OC(=O)C)(COC(=O)C)[H])=O
SPLASH splash10-03di-1009000000-c45ca5df024ed8ec8bbd
Source of Spectrum J-67-3509-8
Synonyms Acetic acid [(2S,3E)-2-acetyloxy-3-[(6aS)-2-(4-methylphenyl)sulfonyl-5-oxo-3,6a-dihydro-1H-cyclopenta[c]pyrrol-6-ylidene]propyl] ester [(2S,3E)-2-acetyloxy-3-[(6aS)-2-(4-methylphenyl)sulfonyl-5-oxo-3,6a-dihydro-1H-cyclopenta[c]pyrrol-6-ylidene]propyl] acetate [(2S,3E)-2-acetoxy-3-[(6aS)-5-oxo-2-(p-tolylsulfonyl)-3,6a-dihydro-1H-cyclopenta[c]pyrrol-6-ylidene]propyl] acetate [(2S,3E)-2-acetyloxy-3-[(6aS)-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,6a-dihydro-1H-cyclopenta[c]pyrrol-6-ylidene]propyl] ethanoate
Wiley ID 1569856