John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6mrm5e5iRC5 SpectraBase Spectrum ID=280iShRSwdT

(accessed ).
SCUPOLIN-I;(11-S,13-S,15-R,16-R,19-S)-6-ALPHA-ACETOXY-2-ALPHA,19;4-ALPHA,18;11,16;15,16-TETRAEPOXY-15,19-DIMETHOXY-NEOClERODANE
SpectraBase Compound ID 6mrm5e5iRC5
InChI InChI=1S/C24H36O8/c1-12-6-18(29-13(2)25)24-16(9-15(30-21(24)27-5)10-23(24)11-28-23)22(12,3)17-7-14-8-19(26-4)32-20(14)31-17/h12,14-21H,6-11H2,1-5H3/t12-,14+,15-,16?,17+,18+,19?,20-,21+,22+,23+,24+/m1/s1
InChIKey JABSDRHNLBFGDC-NQSXUKOESA-N
Mol Weight 452.5 g/mol
Molecular Formula C24H36O8
Exact Mass 452.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 280iShRSwdT
Name SCUPOLIN-I;(11-S,13-S,15-R,16-R,19-S)-6-ALPHA-ACETOXY-2-ALPHA,19;4-ALPHA,18;11,16;15,16-TETRAEPOXY-15,19-DIMETHOXY-NEOClERODANE
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36O8
InChI InChI=1S/C24H36O8/c1-12-6-18(29-13(2)25)24-16(9-15(30-21(24)27-5)10-23(24)11-28-23)22(12,3)17-7-14-8-19(26-4)32-20(14)31-17/h12,14-21H,6-11H2,1-5H3/t12-,14+,15-,16?,17+,18+,19?,20-,21+,22+,23+,24+/m1/s1
InChIKey JABSDRHNLBFGDC-NQSXUKOESA-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 452.545 g/mol
Solvent CDCl3
Source File Reference UWRU365
SpectraBase Batch ID IVGyCfA1V6Y