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#31;(2R,2AS,4AR,6S,7BR)-6-[(1R,2S)-TRANS-2-[(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL)-OXY]-3-OXOOCTAHYDRO-7B-METHYL-1,4,7-TRIOXA-7A-AZACYCLOPENT-[CD]-INDENE-CARBOXY
SpectraBase Compound ID FYFsaW23i3H
InChI InChI=1S/C26H35NO7/c1-15(2)30-25(29)23-21-22-19(32-24(21)28)14-20(33-27(22)34-23)31-18-13-9-8-12-17(18)26(3,4)16-10-6-5-7-11-16/h5-7,10-11,15,17-23H,8-9,12-14H2,1-4H3/t17-,18-,19-,20+,21-,22+,23-/m1/s1
InChIKey FTHAUYNBWMWOSA-IISWQVLISA-N
Mol Weight 473.6 g/mol
Molecular Formula C26H35NO7
Exact Mass 473.241352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5hoFtNl6Hj
Name #31;(2R,2AS,4AR,6S,7BR)-6-[(1R,2S)-TRANS-2-[(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL)-OXY]-3-OXOOCTAHYDRO-7B-METHYL-1,4,7-TRIOXA-7A-AZACYCLOPENT-[CD]-INDENE-CARBOXY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H35NO7
InChI InChI=1S/C26H35NO7/c1-15(2)30-25(29)23-21-22-19(32-24(21)28)14-20(33-27(22)34-23)31-18-13-9-8-12-17(18)26(3,4)16-10-6-5-7-11-16/h5-7,10-11,15,17-23H,8-9,12-14H2,1-4H3/t17-,18-,19-,20+,21-,22+,23-/m1/s1
InChIKey FTHAUYNBWMWOSA-IISWQVLISA-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 473.566 g/mol
Sample ID 45920
Solvent CDCl3