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REL-(2-S,3-R,3A-S,4-R,6-R)-2-ACETYLOXY-4-BENZOYLOXY-6-BUTYLOXY-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-3-CARBOXYLIC-ACID-ETHYLESTER

View entire compound with spectra: 1 NMR

REL-(2-S,3-R,3A-S,4-R,6-R)-2-ACETYLOXY-4-BENZOYLOXY-6-BUTYLOXY-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-3-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID BayHsbHdLWC
InChI InChI=1S/C22H29NO9/c1-4-6-12-28-17-13-16(30-20(25)15-10-8-7-9-11-15)19-18(21(26)27-5-2)22(29-14(3)24)32-23(19)31-17/h7-11,16-19,22H,4-6,12-13H2,1-3H3/t16-,17-,18+,19-,22+/m1/s1
InChIKey VCFSEXGZMDUODE-MRSOFBGISA-N
Mol Weight 451.47 g/mol
Molecular Formula C22H29NO9
Exact Mass 451.184232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BakfHgMYbQt
Name REL-(2-S,3-R,3A-S,4-R,6-R)-2-ACETYLOXY-4-BENZOYLOXY-6-BUTYLOXY-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-3-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 42AII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NO9
InChI InChI=1S/C22H29NO9/c1-4-6-12-28-17-13-16(30-20(25)15-10-8-7-9-11-15)19-18(21(26)27-5-2)22(29-14(3)24)32-23(19)31-17/h7-11,16-19,22H,4-6,12-13H2,1-3H3/t16-,17-,18+,19-,22+/m1/s1
InChIKey VCFSEXGZMDUODE-MRSOFBGISA-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 451.474 g/mol
Sample ID 39518
Solvent CDCl3