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Ethyl 2-O-Acetyl-4-O-benzoyl-3-O-trichloroacetimidoyl-.alpha.,L-rhamnopyranosyl-(1-3)-2-O-acetyl-4-O-benzoyl-1-thio-.alpha.,L-rhamnopyranoside
SpectraBase Compound ID Egc4rfXDVbu
InChI InChI=1S/C34H38Cl3NO12S/c1-6-51-32-28(46-20(5)40)26(24(18(3)44-32)48-30(42)22-15-11-8-12-16-22)49-31-27(45-19(4)39)25(50-33(38)34(35,36)37)23(17(2)43-31)47-29(41)21-13-9-7-10-14-21/h7-18,23-28,31-32,38H,6H2,1-5H3/t17-,18-,23-,24-,25+,26+,27+,28+,31-,32-/m0/s1
InChIKey VEHQSFVXLAWLSJ-FPFGASOBSA-N
Mol Weight 791.1 g/mol
Molecular Formula C34H38Cl3NO12S
Exact Mass 789.11803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XVgeRr3fTI
Name Ethyl 2-O-Acetyl-4-O-benzoyl-3-O-trichloroacetimidoyl-.alpha.,L-rhamnopyranosyl-(1-3)-2-O-acetyl-4-O-benzoyl-1-thio-.alpha.,L-rhamnopyranoside
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Formula C34H38Cl3NO12S
InChI InChI=1S/C34H38Cl3NO12S/c1-6-51-32-28(46-20(5)40)26(24(18(3)44-32)48-30(42)22-15-11-8-12-16-22)49-31-27(45-19(4)39)25(50-33(38)34(35,36)37)23(17(2)43-31)47-29(41)21-13-9-7-10-14-21/h7-18,23-28,31-32,38H,6H2,1-5H3/t17-,18-,23-,24-,25+,26+,27+,28+,31-,32-/m0/s1
InChIKey VEHQSFVXLAWLSJ-FPFGASOBSA-N
Molecular Weight 791.092 g/mol
SMILES N=C(O[C@]1([C@]([C@](O[C@]2([C@]([C@](SCC)(O[C@]([C@@]2(OC(=O)c2ccccc2)[H])(C)[H])[H])(OC(=O)C)[H])[H])(O[C@]([C@@]1(OC(=O)c1ccccc1)[H])(C)[H])[H])(OC(=O)C)[H])[H])C(Cl)(Cl)Cl
SPLASH splash10-0a4i-0900100100-822010a18f7ab1289fff
Source of Spectrum KC-0-1450-21
Synonyms Ethyl 2-O-acetyl-3-O-[2-O-acetyl-4-O-benzoyl-6-deoxy-3-O-(2,2,2-trichloroethanimidoyl)hexopyranosyl]-4-O-benzoyl-6-deoxy-1-thiohexopyranoside
Wiley ID 830499