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.alpha.-dl-Lyxo-hexopyranoside, hexyl 4,6-dideoxy-6-[[[1-[(phenylmethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]-1-thio-, 3-acetate 2-benzoate
SpectraBase Compound ID DnQqZA3jcvT
InChI InChI=1S/C34H44N2O8S/c1-3-4-5-12-20-45-33-30(44-32(39)26-16-10-7-11-17-26)29(42-24(2)37)21-27(43-33)22-35-31(38)28-18-13-19-36(28)34(40)41-23-25-14-8-6-9-15-25/h6-11,14-17,27-30,33H,3-5,12-13,18-23H2,1-2H3,(H,35,38)
InChIKey JPSAAOWWQNTQIG-UHFFFAOYSA-N
Mol Weight 640.8 g/mol
Molecular Formula C34H44N2O8S
Exact Mass 640.281838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69LptGadtRO
Name .alpha.-dl-Lyxo-hexopyranoside, hexyl 4,6-dideoxy-6-[[[1-[(phenylmethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]-1-thio-, 3-acetate 2-benzoate
CAS Registry Number 70835-96-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H44N2O8S
InChI InChI=1S/C34H44N2O8S/c1-3-4-5-12-20-45-33-30(44-32(39)26-16-10-7-11-17-26)29(42-24(2)37)21-27(43-33)22-35-31(38)28-18-13-19-36(28)34(40)41-23-25-14-8-6-9-15-25/h6-11,14-17,27-30,33H,3-5,12-13,18-23H2,1-2H3,(H,35,38)
InChIKey JPSAAOWWQNTQIG-UHFFFAOYSA-N
Molecular Weight 640.792 g/mol
SMILES N(CC1CC(C(C(O1)SCCCCCC)OC(c1ccccc1)=O)OC(C)=O)C(C1CCCN1C(=O)OCc1ccccc1)=O
SPLASH splash10-0006-9411000000-1422d2d08b4da9b0ee94
Source of Spectrum W5-0-0-0
Synonyms (phenylmethyl) 2-[[4-acetyloxy-6-hexylsulfanyl-5-(phenylcarbonyloxy)oxan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate 2-[[4-acetoxy-5-benzoyloxy-6-(hexylthio)tetrahydropyran-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylic acid benzyl ester 2-[[[4-acetyloxy-5-benzoyloxy-6-(hexylthio)-2-oxanyl]methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester benzyl 2-[(4-acetoxy-5-benzoyloxy-6-hexylsulfanyl-tetrahydropyran-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
Wiley ID 1412630