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.beta.-D-Glucopyranoside, 1-methylethyl 2-(acetylamino)-2-deoxy-6-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-, 3,4-diacetate
SpectraBase Compound ID 8DnE0f7TEcx
InChI InChI=1S/C29H43NO17/c1-12(2)40-28-22(30-13(3)31)25(43-17(7)35)23(41-15(5)33)21(46-28)11-39-29-27(45-19(9)37)26(44-18(8)36)24(42-16(6)34)20(47-29)10-38-14(4)32/h12,20-29H,10-11H2,1-9H3,(H,30,31)/t20-,21-,22-,23-,24-,25-,26+,27-,28-,29-/m1/s1
InChIKey BGWSPLDWVUPDKW-GIJXQZAHSA-N
Mol Weight 677.7 g/mol
Molecular Formula C29H43NO17
Exact Mass 677.253099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CtUbn7l11t
Name .beta.-D-Glucopyranoside, 1-methylethyl 2-(acetylamino)-2-deoxy-6-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-, 3,4-diacetate
Alternate Name(s) isopropyl 3,4-di-O-acetyl-2-(acetylamino)-2-deoxy-6-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-.beta.-D-glucopyranoside Isopropyl-O-[2,3,4,6-tri-O-acetyl-.beta.-D-glucopyranosyl]-(1 to 6)-2-acetamido-3,4-di-O-acetyl-2-desoxy-.beta.-D-glucopyranoside
CAS Registry Number 78300-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H43NO17
InChI InChI=1S/C29H43NO17/c1-12(2)40-28-22(30-13(3)31)25(43-17(7)35)23(41-15(5)33)21(46-28)11-39-29-27(45-19(9)37)26(44-18(8)36)24(42-16(6)34)20(47-29)10-38-14(4)32/h12,20-29H,10-11H2,1-9H3,(H,30,31)/t20-,21-,22-,23-,24-,25-,26+,27-,28-,29-/m1/s1
InChIKey BGWSPLDWVUPDKW-GIJXQZAHSA-N
Molecular Weight 677.653 g/mol
SMILES N([C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(OC(C)C)[H])(CO[C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])[H])[H])(OC(=O)C)[H])[H])C(=O)C
SPLASH splash10-067i-1912010000-68e1e8382a4e9c8e0a63
Source of Spectrum F-37-103-0
Wiley ID 1414206