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SCUPOLIN-E;(11-S)-11-ACETOXY-6-ALPHA-[(2'-METHYL-BUTYRYL)-OXY]-4-ALPHA,18-EPOXY-7-BETA,8-BETA,19-TRIHYDROXY-NEOClEROD-13-EN-15,16-OLIDE

View entire compound with spectra: 1 NMR

SCUPOLIN-E;(11-S)-11-ACETOXY-6-ALPHA-[(2'-METHYL-BUTYRYL)-OXY]-4-ALPHA,18-EPOXY-7-BETA,8-BETA,19-TRIHYDROXY-NEOClEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID 7wQag7HieEH
InChI InChI=1S/C27H40O10/c1-6-15(2)23(32)37-22-21(31)25(5,33)24(4,18-8-7-9-26(14-35-26)27(18,22)13-28)19(36-16(3)29)10-17-11-20(30)34-12-17/h11,15,18-19,21-22,28,31,33H,6-10,12-14H2,1-5H3/t15?,18-,19-,21+,22+,24+,25+,26+,27+/m0/s1
InChIKey MRDDGKKTFVCTJI-WCLGNXEGSA-N
Mol Weight 524.6 g/mol
Molecular Formula C27H40O10
Exact Mass 524.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8eHjpTMEW6
Name SCUPOLIN-E;(11-S)-11-ACETOXY-6-ALPHA-[(2'-METHYL-BUTYRYL)-OXY]-4-ALPHA,18-EPOXY-7-BETA,8-BETA,19-TRIHYDROXY-NEOClEROD-13-EN-15,16-OLIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O10
InChI InChI=1S/C27H40O10/c1-6-15(2)23(32)37-22-21(31)25(5,33)24(4,18-8-7-9-26(14-35-26)27(18,22)13-28)19(36-16(3)29)10-17-11-20(30)34-12-17/h11,15,18-19,21-22,28,31,33H,6-10,12-14H2,1-5H3/t15?,18-,19-,21+,22+,24+,25+,26+,27+/m0/s1
InChIKey MRDDGKKTFVCTJI-WCLGNXEGSA-N
Literature Reference Author M.C.DELATORRE,B.RODRIGUEZ,M.BRUNO,N.VASSALO,M.L.BONDI,F.PIOZ ZI,O.SERVETTAZ
Literature Reference Citation J.NAT.PROD.,60,1229(1997)
Literature Reference DOI 10.1021/np970213a
Molecular Weight 524.609 g/mol
Solvent CDCl3
Source File Reference UWRU361