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D-1,4,5,6-TETRA-O-BENZYL-2-(1S,4R)-CAMPHANYL-3-DEOXY-3-FLUORO-SCYLLO-INOSITOL
SpectraBase Compound ID JPsgHsPR547
InChI InChI=1S/C44H47FO8/c1-42(2)43(3)24-25-44(42,53-40(43)46)41(47)52-36-34(45)35(48-26-30-16-8-4-9-17-30)37(49-27-31-18-10-5-11-19-31)39(51-29-33-22-14-7-15-23-33)38(36)50-28-32-20-12-6-13-21-32/h4-23,34-39H,24-29H2,1-3H3/t34-,35-,36+,37+,38-,39-,43-,44+/m0/s1
InChIKey CMYCEOPQOADFEU-ABUSASQHSA-N
Mol Weight 722.9 g/mol
Molecular Formula C44H47FO8
Exact Mass 722.325497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CKIheO5Apw
Name D-1,4,5,6-TETRA-O-BENZYL-2-(1S,4R)-CAMPHANYL-3-DEOXY-3-FLUORO-SCYLLO-INOSITOL
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H47FO8
InChI InChI=1S/C44H47FO8/c1-42(2)43(3)24-25-44(42,53-40(43)46)41(47)52-36-34(45)35(48-26-30-16-8-4-9-17-30)37(49-27-31-18-10-5-11-19-31)39(51-29-33-22-14-7-15-23-33)38(36)50-28-32-20-12-6-13-21-32/h4-23,34-39H,24-29H2,1-3H3/t34-,35-,36+,37+,38-,39-,43-,44+/m0/s1
InChIKey CMYCEOPQOADFEU-ABUSASQHSA-N
Literature Reference Author K.R.H.SOLOMONS,S.FREEMAN,C.H.SCHWALBE,S.B.SHEARS,D.J.NELSON, W.XIE,K.S.BRUZIK,M.A
Literature Reference Citation CARBOHYDR.RES.,309,337(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00146-3
Molecular Weight 722.851 g/mol
Solvent CDCl3
Source File Reference UWMP560