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#40A;MIXTURE;REL-(2S,3S/R,3A-R/S,4R,6R)-4-BENZOYLOXY-6-BUTYLOXY-3-TRIMETHYLSILYL-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 3RshlAlX6hy
InChI InChI=1S/2C22H33NO7Si/c1-6-7-13-27-17-14-16(28-20(24)15-11-9-8-10-12-15)19-18(21(25)26-2)22(31(3,4)5)30-23(19)29-17;1-6-7-13-27-17-14-16(28-21(24)15-11-9-8-10-12-15)18-20(31(3,4)5)19(22(25)26-2)30-23(18)29-17/h8-12,16-19,22H,6-7,13-14H2,1-5H3;8-12,16-20H,6-7,13-14H2,1-5H3/t16-,17-,18+,19-,22+;16-,17-,18-,19+,20+/m11/s1
InChIKey IDNRDKZLVQHQTL-NSDOMBNISA-N
Mol Weight 903.2 g/mol
Molecular Formula C44H66N2O14Si2
Exact Mass 902.405258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AestLtOV82K
Name #40A;MIXTURE;REL-(2S,3S/R,3A-R/S,4R,6R)-4-BENZOYLOXY-6-BUTYLOXY-3-TRIMETHYLSILYL-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H66N2O14Si2
InChI InChI=1S/2C22H33NO7Si/c1-6-7-13-27-17-14-16(28-20(24)15-11-9-8-10-12-15)19-18(21(25)26-2)22(31(3,4)5)30-23(19)29-17;1-6-7-13-27-17-14-16(28-21(24)15-11-9-8-10-12-15)18-20(31(3,4)5)19(22(25)26-2)30-23(18)29-17/h8-12,16-19,22H,6-7,13-14H2,1-5H3;8-12,16-20H,6-7,13-14H2,1-5H3/t16-,17-,18+,19-,22+;16-,17-,18-,19+,20+/m11/s1
InChIKey IDNRDKZLVQHQTL-NSDOMBNISA-N
Literature Reference Author S.E.DENMARK,M.SEIERSTAD,B.HERBERT
Literature Reference Citation J.ORG.CHEM.,64,884(1999)
Literature Reference DOI 10.1021/jo9818374
Molecular Weight 903.184 g/mol
Sample ID 39514
Solvent CDCl3