For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
D-Mannonic acid, 2-(benzoylamino)-2-C-[(benzoyloxy)methyl]-2-deoxy-, .gamma.-lactone, 3,5,6-tribenzoate
SpectraBase Compound ID K9JOOc3kuSA
InChI InChI=1S/C42H33NO11/c44-36(28-16-6-1-7-17-28)43-42(27-51-38(46)30-20-10-3-11-21-30)35(54-40(48)32-24-14-5-15-25-32)34(53-41(42)49)33(52-39(47)31-22-12-4-13-23-31)26-50-37(45)29-18-8-2-9-19-29/h1-25,33-35H,26-27H2,(H,43,44)/t33-,34-,35+,42-/m1/s1
InChIKey KWRSTXILZJDQPY-JMXHJSDOSA-N
Mol Weight 727.7 g/mol
Molecular Formula C42H33NO11
Exact Mass 727.205361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FvZqwrKSCII
Name D-Mannonic acid, 2-(benzoylamino)-2-C-[(benzoyloxy)methyl]-2-deoxy-, .gamma.-lactone, 3,5,6-tribenzoate
Alternate Name(s) (2S,3R,4R)-4-benzamido-4-[(benzoyloxy)methyl]-2-[(1R)-1,2-bis(benzoyloxy)ethyl]-5-oxooxolan-3-yl benzoate 2-Benzoylamino-2-benzoyloxymethyl-2-deoxy-3,5,6-tri-O-benzoyl-D-mannono-1,4-lac-tone
CAS Registry Number 88278-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H33NO11
InChI InChI=1S/C42H33NO11/c44-36(28-16-6-1-7-17-28)43-42(27-51-38(46)30-20-10-3-11-21-30)35(54-40(48)32-24-14-5-15-25-32)34(53-41(42)49)33(52-39(47)31-22-12-4-13-23-31)26-50-37(45)29-18-8-2-9-19-29/h1-25,33-35H,26-27H2,(H,43,44)/t33-,34-,35+,42-/m1/s1
InChIKey KWRSTXILZJDQPY-JMXHJSDOSA-N
Molecular Weight 727.722 g/mol
SMILES N([C@@]1([C@]([C@@]([C@](OC(=O)c2ccccc2)(COC(=O)c2ccccc2)[H])(OC1=O)[H])(OC(=O)c1ccccc1)[H])COC(=O)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-4a2194139bc3a0a72dd9
Source of Spectrum KC-1983-1617-0
Wiley ID 1415836