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4,5-DI-O-ACETYL-3,6-DI-O-BENZYL-1,2-BIS-O-(3-OXO-1,5-DIHYDRO-3-LAMBDA(5)-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-D-MYO-INOSITOL
SpectraBase Compound ID EpMRveAdR9v
InChI InChI=1S/C40H42O14P2/c1-27(41)51-37-35(45-21-29-13-5-3-6-14-29)39(53-55(43)47-23-31-17-9-10-18-32(31)24-48-55)40(54-56(44)49-25-33-19-11-12-20-34(33)26-50-56)36(38(37)52-28(2)42)46-22-30-15-7-4-8-16-30/h3-20,35-40H,21-26H2,1-2H3/t35-,36-,37-,38-,39-,40+/m1/s1
InChIKey LCJILGJHXIPKMI-QJICSDKSSA-N
Mol Weight 808.7 g/mol
Molecular Formula C40H42O14P2
Exact Mass 808.20498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CkzsCnhpi6
Name 4,5-DI-O-ACETYL-3,6-DI-O-BENZYL-1,2-BIS-O-(3-OXO-1,5-DIHYDRO-3-LAMBDA(5)-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-D-MYO-INOSITOL
Compound Number (+)-19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O14P2
InChI InChI=1S/C40H42O14P2/c1-27(41)51-37-35(45-21-29-13-5-3-6-14-29)39(53-55(43)47-23-31-17-9-10-18-32(31)24-48-55)40(54-56(44)49-25-33-19-11-12-20-34(33)26-50-56)36(38(37)52-28(2)42)46-22-30-15-7-4-8-16-30/h3-20,35-40H,21-26H2,1-2H3/t35-,36-,37-,38-,39-,40+/m1/s1
InChIKey LCJILGJHXIPKMI-QJICSDKSSA-N
Literature Reference Author M.A.L.PODESCHWA,O.PLETTENBURG,H.J.ALTENBACH
Literature Reference Citation EUR.J.ORG.CHEM.,3101(2005)
Molecular Weight 808.713 g/mol
Sample ID 29976
Solvent CDCl3