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

View entire compound with spectra: 1 NMR

REL-(2-S,3-R,3A-S,4-R,6-R)-4-BENZOYLOXY-6-BUTYLOXY-3-METHYL-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID Bkn5GwCDJtS
InChI InChI=1S/C21H29NO7/c1-4-6-12-26-17-13-16(27-20(23)15-10-8-7-9-11-15)18-14(3)19(21(24)25-5-2)29-22(18)28-17/h7-11,14,16-19H,4-6,12-13H2,1-3H3/t14-,16-,17-,18+,19+/m1/s1
InChIKey IMCLJFGDFMNZRQ-DBDQLMEASA-N
Mol Weight 407.46 g/mol
Molecular Formula C21H29NO7
Exact Mass 407.194402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbYrZj4uY5w
Name REL-(2-S,3-R,3A-S,4-R,6-R)-4-BENZOYLOXY-6-BUTYLOXY-3-METHYL-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 41AI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29NO7
InChI InChI=1S/C21H29NO7/c1-4-6-12-26-17-13-16(27-20(23)15-10-8-7-9-11-15)18-14(3)19(21(24)25-5-2)29-22(18)28-17/h7-11,14,16-19H,4-6,12-13H2,1-3H3/t14-,16-,17-,18+,19+/m1/s1
InChIKey IMCLJFGDFMNZRQ-DBDQLMEASA-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 407.464 g/mol
Sample ID 39517
Solvent CDCl3