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N2-Benzoyl-1-{3-O-benzoyl-4-O-[bis(4-methoxyphenyl)phenylmethyl]-beta-D-ribopyranosyl}-5-methylisocytosine
SpectraBase Compound ID 99SgJV3pWXq
InChI InChI=1S/C45H41N3O9/c1-29-27-48(44(46-40(29)50)47-41(51)30-13-7-4-8-14-30)42-38(49)39(56-43(52)31-15-9-5-10-16-31)37(28-55-42)57-45(32-17-11-6-12-18-32,33-19-23-35(53-2)24-20-33)34-21-25-36(54-3)26-22-34/h4-27,37-39,42,49H,28H2,1-3H3,(H,46,47,50,51)/t37-,38-,39-,42-/m1/s1
InChIKey CCJRZEXFDLDLMC-CMBIUHGPSA-N
Mol Weight 767.8 g/mol
Molecular Formula C45H41N3O9
Exact Mass 767.28428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5d0fUBCOc42
Name N2-Benzoyl-1-{3-O-benzoyl-4-O-[bis(4-methoxyphenyl)phenylmethyl]-beta-D-ribopyranosyl}-5-methylisocytosine
Alternate Name(s) (2R,3R,4S,5R)-2-(2-benzamido-5-methyl-4-oxopyrimidin-1(4H)-yl)-5-(bis(4-methoxyphenyl)(phenyl)methoxy)-3-hydroxytetrahydro-2H-pyran-4-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H41N3O9
InChI InChI=1S/C45H41N3O9/c1-29-27-48(44(46-40(29)50)47-41(51)30-13-7-4-8-14-30)42-38(49)39(56-43(52)31-15-9-5-10-16-31)37(28-55-42)57-45(32-17-11-6-12-18-32,33-19-23-35(53-2)24-20-33)34-21-25-36(54-3)26-22-34/h4-27,37-39,42,49H,28H2,1-3H3,(H,46,47,50,51)/t37-,38-,39-,42-/m1/s1
InChIKey CCJRZEXFDLDLMC-CMBIUHGPSA-N
Literature Reference DOI 10.1002/hlca.200690024
Molecular Weight 767.835 g/mol
SMILES N(C(c1ccccc1)=O)C1=NC(C(=CN1[C@]1([C@@]([C@@]([C@@](CO1)(OC(c1ccc(OC)cc1)(c1ccccc1)c1ccc(cc1)OC)[H])(OC(c1ccccc1)=O)[H])(O)[H])[H])C)=O
SPLASH splash10-014i-1290000400-61a2827757f35bd6c737
Source of Spectrum H-89-228-8
Wiley ID 1785650