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2,6-Anhydro-1,3,4-tri-o-benzyl-9-[(diphenoxyphosphoryl)amino]-7,8,9-trideoxy-D-glycero-1-gulo-nonitol
SpectraBase Compound ID 7aVaNaiqe36
InChI InChI=1S/C44H48NO9P/c1-34(46)51-43-40(28-17-29-45-55(47,53-38-24-13-5-14-25-38)54-39-26-15-6-16-27-39)52-41(33-48-30-35-18-7-2-8-19-35)42(49-31-36-20-9-3-10-21-36)44(43)50-32-37-22-11-4-12-23-37/h2-16,18-27,40-44H,17,28-33H2,1H3,(H,45,47)/t40-,41-,42-,43?,44+/m1/s1
InChIKey HWHKDXNDOHGMCK-PHRXMLSDSA-N
Mol Weight 765.8 g/mol
Molecular Formula C44H48NO9P
Exact Mass 765.306669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkK4FcIvAhJ
Name 2,6-Anhydro-1,3,4-tri-o-benzyl-9-[(diphenoxyphosphoryl)amino]-7,8,9-trideoxy-D-glycero-1-gulo-nonitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 765.306669119 u
Formula C44H48NO9P
InChI InChI=1S/C44H48NO9P/c1-34(46)51-43-40(28-17-29-45-55(47,53-38-24-13-5-14-25-38)54-39-26-15-6-16-27-39)52-41(33-48-30-35-18-7-2-8-19-35)42(49-31-36-20-9-3-10-21-36)44(43)50-32-37-22-11-4-12-23-37/h2-16,18-27,40-44H,17,28-33H2,1H3,(H,45,47)/t40-,41-,42-,43?,44+/m1/s1
InChIKey HWHKDXNDOHGMCK-PHRXMLSDSA-N
Molecular Weight 765.840 g/mol
SMILES [C@@]1(C([C@](O[C@@]([C@]1(OCC1=CC=CC=C1)[H])(COCC=1C=CC=CC1)[H])(CCCNP(OC1=CC=CC=C1)(OC1=CC=CC=C1)=O)[H])OC(=O)C)(OCC=1C=CC=CC1)[H]