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#30;REL-(2R,2AS,4AR,6S,7BR)-6-[(1S,2R)-TRANS-2-(PHENYLCYCLOHEXYL)-OXY]-3-OXOOCTAHYDRO-1,4,7-TRIOXA-7A-AZABICYCLOPENT-[CD]-INDENE-CARBOXYLIC-ACID-ETHYLESTER

View entire compound with spectra: 1 NMR

#30;REL-(2R,2AS,4AR,6S,7BR)-6-[(1S,2R)-TRANS-2-(PHENYLCYCLOHEXYL)-OXY]-3-OXOOCTAHYDRO-1,4,7-TRIOXA-7A-AZABICYCLOPENT-[CD]-INDENE-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 9GhpeAgVHEw
InChI InChI=1S/C22H27NO7/c1-2-26-22(25)20-18-19-16(28-21(18)24)12-17(29-23(19)30-20)27-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,14-20H,2,6-7,10-12H2,1H3/t14-,15+,16+,17-,18+,19-,20+/m0/s1
InChIKey RWVCVKODZYXWHH-BCNVYZLRSA-N
Mol Weight 417.46 g/mol
Molecular Formula C22H27NO7
Exact Mass 417.178752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbBMJsa2pqD
Name #30;REL-(2R,2AS,4AR,6S,7BR)-6-[(1S,2R)-TRANS-2-(PHENYLCYCLOHEXYL)-OXY]-3-OXOOCTAHYDRO-1,4,7-TRIOXA-7A-AZABICYCLOPENT-[CD]-INDENE-CARBOXYLIC-ACID-ETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO7
InChI InChI=1S/C22H27NO7/c1-2-26-22(25)20-18-19-16(28-21(18)24)12-17(29-23(19)30-20)27-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,14-20H,2,6-7,10-12H2,1H3/t14-,15+,16+,17-,18+,19-,20+/m0/s1
InChIKey RWVCVKODZYXWHH-BCNVYZLRSA-N
Literature Reference Author S.E.DENMARK,A.THORARENSEN,D.S.MIDDLETON
Literature Reference Citation J.AM.CHEM.SOC.,118,8266(1996)
Literature Reference DOI 10.1021/ja961630x
Molecular Weight 417.459 g/mol
Sample ID 45917
Solvent CDCl3