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Ethyl 2-O-Acetyl-4-O-benzoyl-.alpha.,L-rhamnopyranosyl-(1-3)-2-O-acetyl-4-O-benzoyl-1-thio-.alpha.,L-rhamnopyranoside
SpectraBase Compound ID 2Le7ILr9P7y
InChI InChI=1S/C32H38O12S/c1-6-45-32-28(41-20(5)34)27(25(18(3)39-32)43-30(37)22-15-11-8-12-16-22)44-31-26(40-19(4)33)23(35)24(17(2)38-31)42-29(36)21-13-9-7-10-14-21/h7-18,23-28,31-32,35H,6H2,1-5H3/t17-,18-,23+,24-,25-,26+,27+,28+,31-,32-/m0/s1
InChIKey WQPAYCYTGQNFKE-AKWXUOGKSA-N
Mol Weight 646.7 g/mol
Molecular Formula C32H38O12S
Exact Mass 646.208398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvWIJqHm59c
Name Ethyl 2-O-Acetyl-4-O-benzoyl-.alpha.,L-rhamnopyranosyl-(1-3)-2-O-acetyl-4-O-benzoyl-1-thio-.alpha.,L-rhamnopyranoside
Alternate Name(s) Ethyl 2-O-acetyl-3-O-(2-O-acetyl-4-O-benzoyl-6-deoxyhexopyranosyl)-4-O-benzoyl-6-deoxy-1-thiohexopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H38O12S
InChI InChI=1S/C32H38O12S/c1-6-45-32-28(41-20(5)34)27(25(18(3)39-32)43-30(37)22-15-11-8-12-16-22)44-31-26(40-19(4)33)23(35)24(17(2)38-31)42-29(36)21-13-9-7-10-14-21/h7-18,23-28,31-32,35H,6H2,1-5H3/t17-,18-,23+,24-,25-,26+,27+,28+,31-,32-/m0/s1
InChIKey WQPAYCYTGQNFKE-AKWXUOGKSA-N
Molecular Weight 646.704 g/mol
SMILES 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]
SPLASH splash10-0a4i-0940030000-023b922bfa34e72f5da2
Source of Spectrum KC-0-1450-12
Wiley ID 830498