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#14-ALPHA;(2S,2AS,4AS,6S,7AR,7BR)-6-[(1R,2S)-(2-PHENYLCYCLOHEXYL)-OXY]-OCTAHYDRO-7B-METHYL-1,7-DIOXA-7A-AZACYCLOPENT-[CD]-INDANE-2-CARBOXYLIC-ACID-METHYLESTER

View entire compound with spectra: 1 NMR

#14-ALPHA;(2S,2AS,4AS,6S,7AR,7BR)-6-[(1R,2S)-(2-PHENYLCYCLOHEXYL)-OXY]-OCTAHYDRO-7B-METHYL-1,7-DIOXA-7A-AZACYCLOPENT-[CD]-INDANE-2-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID JVYkXxaimq0
InChI InChI=1S/C23H31NO5/c1-23-16-12-13-18(23)21(22(25)26-2)29-24(23)28-20(14-16)27-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-5,8-9,16-21H,6-7,10-14H2,1-2H3/t16-,17?,18+,19?,20-,21-,23+/m1/s1
InChIKey XGCDSOUVOLRBLD-QWWQNSSYSA-N
Mol Weight 401.5 g/mol
Molecular Formula C23H31NO5
Exact Mass 401.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILb6XRdfDAM
Name #14-ALPHA;(2S,2AS,4AS,6S,7AR,7BR)-6-[(1R,2S)-(2-PHENYLCYCLOHEXYL)-OXY]-OCTAHYDRO-7B-METHYL-1,7-DIOXA-7A-AZACYCLOPENT-[CD]-INDANE-2-CARBOXYLIC-ACID-METHYLESTER
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO5
InChI InChI=1S/C23H31NO5/c1-23-16-12-13-18(23)21(22(25)26-2)29-24(23)28-20(14-16)27-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-5,8-9,16-21H,6-7,10-14H2,1-2H3/t16-,17?,18+,19?,20-,21-,23+/m1/s1
InChIKey XGCDSOUVOLRBLD-QWWQNSSYSA-N
Literature Reference Author S.E.DENMARK,M.E.SCHNUTE,C.B.W.SENANAYAKE
Literature Reference Citation J.ORG.CHEM.,58,1859(1993)
Literature Reference DOI 10.1021/jo00059a044
Molecular Weight 401.503 g/mol
Solvent CDCl3