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#46;ALPHA-ISOMER;(-)-(2R,2AS,4AR,6S,7BR)-6-[(1R)-(2-DIPHENYLCYCLOPENTYL)-OXY]-3-HYDROXYOCTAHYDRO-1,4,7-TRIOXA-7A-AZABICYCLOPENT-[CD]-INDENE-2-CARBOXYLIC-ACID-1

View entire compound with spectra: 1 NMR

#46;ALPHA-ISOMER;(-)-(2R,2AS,4AR,6S,7BR)-6-[(1R)-(2-DIPHENYLCYCLOPENTYL)-OXY]-3-HYDROXYOCTAHYDRO-1,4,7-TRIOXA-7A-AZABICYCLOPENT-[CD]-INDENE-2-CARBOXYLIC-ACID-1
SpectraBase Compound ID CTRUpKxzdBp
InChI InChI=1S/C28H33NO7/c1-17(2)32-27(31)25-23-24-20(33-26(23)30)16-22(35-29(24)36-25)34-21-14-9-15-28(21,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-26,30H,9,14-16H2,1-2H3/t20-,21-,22+,23-,24+,25-,26+/m1/s1
InChIKey XKHOTWWYTJDHGU-WNTUUFPFSA-N
Mol Weight 495.6 g/mol
Molecular Formula C28H33NO7
Exact Mass 495.225702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UanLiC5n1J
Name #46;ALPHA-ISOMER;(-)-(2R,2AS,4AR,6S,7BR)-6-[(1R)-(2-DIPHENYLCYCLOPENTYL)-OXY]-3-HYDROXYOCTAHYDRO-1,4,7-TRIOXA-7A-AZABICYCLOPENT-[CD]-INDENE-2-CARBOXYLIC-ACID-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H33NO7
InChI InChI=1S/C28H33NO7/c1-17(2)32-27(31)25-23-24-20(33-26(23)30)16-22(35-29(24)36-25)34-21-14-9-15-28(21,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-26,30H,9,14-16H2,1-2H3/t20-,21-,22+,23-,24+,25-,26+/m1/s1
InChIKey XKHOTWWYTJDHGU-WNTUUFPFSA-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 495.573 g/mol
Sample ID 45901
Solvent CDCl3