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SCUPOLIN-A;(11-S)-11-ACETOXY-6-ALPHA-[(2'-METHYL-BUTYRYL)-OXY]-4-ALPHA,18-EPOXY-8-BETA,19-DIHYDROXY-NEOClEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID 3D5bQ7iJzi2
InChI InChI=1S/C27H40O9/c1-6-16(2)23(31)36-21-12-24(4,32)25(5,19-8-7-9-26(15-34-26)27(19,21)14-28)20(35-17(3)29)10-18-11-22(30)33-13-18/h11,16,19-21,28,32H,6-10,12-15H2,1-5H3/t16?,19-,20-,21+,24+,25+,26+,27+/m0/s1
InChIKey AHYJCAKCAVWBQD-SUHGNKGYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C27H40O9
Exact Mass 508.267233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AS35rAx1us
Name SCUPOLIN-A;(11-S)-11-ACETOXY-6-ALPHA-[(2'-METHYL-BUTYRYL)-OXY]-4-ALPHA,18-EPOXY-8-BETA,19-DIHYDROXY-NEOClEROD-13-EN-15,16-OLIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O9
InChI InChI=1S/C27H40O9/c1-6-16(2)23(31)36-21-12-24(4,32)25(5,19-8-7-9-26(15-34-26)27(19,21)14-28)20(35-17(3)29)10-18-11-22(30)33-13-18/h11,16,19-21,28,32H,6-10,12-15H2,1-5H3/t16?,19-,20-,21+,24+,25+,26+,27+/m0/s1
InChIKey AHYJCAKCAVWBQD-SUHGNKGYSA-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 508.609 g/mol
Solvent CDCl3
Source File Reference UWRU358