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#21;(2S,2AS,4AS,5S,6S,7AR,7BR)-6-[(1R,2S)-(2-PHENYLCYCLOHEXYL)-OXY]-OCTAHYDRO-7B-METHYL-1,7-DIOXA-7A-AZACYCLOPENT-[CD]-INDANE-2-CARBOXYLIC-ACID-METHYLESTER

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#21;(2S,2AS,4AS,5S,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 DTjw6F9I9Px
InChI InChI=1S/C24H33NO5/c1-15-18-13-14-19-21(22(26)27-3)29-25(24(18,19)2)30-23(15)28-20-12-8-7-11-17(20)16-9-5-4-6-10-16/h4-6,9-10,15,17-21,23H,7-8,11-14H2,1-3H3/t15?,17?,18-,19+,20?,21-,23?,24+/m1/s1
InChIKey PUOUDLLLLMYDKL-JROCZJMJSA-N
Mol Weight 415.5 g/mol
Molecular Formula C24H33NO5
Exact Mass 415.235873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WoX69oTYb8
Name #21;(2S,2AS,4AS,5S,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 © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H33NO5
InChI InChI=1S/C24H33NO5/c1-15-18-13-14-19-21(22(26)27-3)29-25(24(18,19)2)30-23(15)28-20-12-8-7-11-17(20)16-9-5-4-6-10-16/h4-6,9-10,15,17-21,23H,7-8,11-14H2,1-3H3/t15?,17?,18-,19+,20?,21-,23?,24+/m1/s1
InChIKey PUOUDLLLLMYDKL-JROCZJMJSA-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 415.530 g/mol
Solvent CDCl3