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SCUTEREPENIN-D1;(4R,11S*,13R*)-6-ALPHA-TRANS-CINNAMOYLOXY-1-BETA,7-BETA-DIACETOXY-11,16:15,16-DIEPOXY-18-NEOCLERODANAL
SpectraBase Compound ID IrsVt44iVwM
InChI InChI=1S/C33H42O9/c1-19-28(40-21(3)36)30(42-27(37)14-11-22-9-7-6-8-10-22)33(5)24(18-34)12-13-25(39-20(2)35)29(33)32(19,4)26-17-23-15-16-38-31(23)41-26/h6-11,14,18-19,23-26,28-31H,12-13,15-17H2,1-5H3/b14-11+/t19-,23-,24+,25-,26+,28-,29-,30+,31+,32-,33+/m1/s1
InChIKey DYIVBKFRARZFFH-YXOXRXPQSA-N
Mol Weight 582.7 g/mol
Molecular Formula C33H42O9
Exact Mass 582.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6kMkH7UQEe
Name SCUTEREPENIN-D1;(4R,11S*,13R*)-6-ALPHA-TRANS-CINNAMOYLOXY-1-BETA,7-BETA-DIACETOXY-11,16:15,16-DIEPOXY-18-NEOCLERODANAL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O9
InChI InChI=1S/C33H42O9/c1-19-28(40-21(3)36)30(42-27(37)14-11-22-9-7-6-8-10-22)33(5)24(18-34)12-13-25(39-20(2)35)29(33)32(19,4)26-17-23-15-16-38-31(23)41-26/h6-11,14,18-19,23-26,28-31H,12-13,15-17H2,1-5H3/b14-11+/t19-,23-,24+,25-,26+,28-,29-,30+,31+,32-,33+/m1/s1
InChIKey DYIVBKFRARZFFH-YXOXRXPQSA-N
Literature Reference Author H.KIZU,N.SUGITA,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,46,988(1998)
Literature Reference DOI 10.1248/cpb.46.988
Molecular Weight 582.691 g/mol
Solvent CDCl3
Source File Reference UWMS6496