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SCUPOLIN-C;(11-S)-11-ACETOXY-6-ALPHA,19-BIS-(BENZOYLOXY)-4-ALPHA,18-EPOXY-8-BETA-HYDROXY-NEOClEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID DL9GGPvvAQH
InChI InChI=1S/C36H40O10/c1-23(37)45-28(17-24-18-30(38)42-20-24)34(3)27-15-10-16-35(21-44-35)36(27,22-43-31(39)25-11-6-4-7-12-25)29(19-33(34,2)41)46-32(40)26-13-8-5-9-14-26/h4-9,11-14,18,27-29,41H,10,15-17,19-22H2,1-3H3/t27-,28-,29+,33+,34+,35+,36+/m0/s1
InChIKey WEMANRXAHPPLNI-LQNMHIQJSA-N
Mol Weight 632.7 g/mol
Molecular Formula C36H40O10
Exact Mass 632.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKzPtmhhjfk
Name SCUPOLIN-C;(11-S)-11-ACETOXY-6-ALPHA,19-BIS-(BENZOYLOXY)-4-ALPHA,18-EPOXY-8-BETA-HYDROXY-NEOClEROD-13-EN-15,16-OLIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40O10
InChI InChI=1S/C36H40O10/c1-23(37)45-28(17-24-18-30(38)42-20-24)34(3)27-15-10-16-35(21-44-35)36(27,22-43-31(39)25-11-6-4-7-12-25)29(19-33(34,2)41)46-32(40)26-13-8-5-9-14-26/h4-9,11-14,18,27-29,41H,10,15-17,19-22H2,1-3H3/t27-,28-,29+,33+,34+,35+,36+/m0/s1
InChIKey WEMANRXAHPPLNI-LQNMHIQJSA-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 632.708 g/mol
Solvent CDCl3
Source File Reference UWRU359