John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=13exRJCJTTJ SpectraBase Spectrum ID=D2vvmzyoNeF

(accessed ).
SCUPONTIN-G;(12R)-6-ALPHA,7-BETA-BIS-(BENZOYLOXY)-1-BETA,12-EPOXY-8-BETA,12-ALPHA-DIHYDROXYNEOClERODA-4(18),13-DIEN-15,16-OLIDE
SpectraBase Compound ID 13exRJCJTTJ
InChI InChI=1S/C34H36O9/c1-20-15-16-24-26-31(2,19-34(39,43-24)23-17-25(35)40-18-23)33(4,38)28(42-30(37)22-13-9-6-10-14-22)27(32(20,26)3)41-29(36)21-11-7-5-8-12-21/h5-14,17,24,26-28,38-39H,1,15-16,18-19H2,2-4H3/t24-,26-,27+,28+,31-,32+,33+,34-/m1/s1
InChIKey RZWPWVLVPPZVMK-VPWPUGDCSA-N
Mol Weight 588.7 g/mol
Molecular Formula C34H36O9
Exact Mass 588.235933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2vvmzyoNeF
Name SCUPONTIN-G;(12R)-6-ALPHA,7-BETA-BIS-(BENZOYLOXY)-1-BETA,12-EPOXY-8-BETA,12-ALPHA-DIHYDROXYNEOClERODA-4(18),13-DIEN-15,16-OLIDE
Compound Number 7
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H36O9
InChI InChI=1S/C34H36O9/c1-20-15-16-24-26-31(2,19-34(39,43-24)23-17-25(35)40-18-23)33(4,38)28(42-30(37)22-13-9-6-10-14-22)27(32(20,26)3)41-29(36)21-11-7-5-8-12-21/h5-14,17,24,26-28,38-39H,1,15-16,18-19H2,2-4H3/t24-,26-,27+,28+,31-,32+,33+,34-/m1/s1
InChIKey RZWPWVLVPPZVMK-VPWPUGDCSA-N
Literature Reference Author B.RODRIGUEZ,M.C.DELATORRE,M.L.JIMENO,M.BRUNO,N.VASSALLO,M.L. BONDI,F.PIOZZI,O.SER
Literature Reference Citation J.NAT.PROD.,60,348(1997)
Literature Reference DOI 10.1021/np960714g
Molecular Weight 588.654 g/mol
Solvent CDCl3
Source File Reference UWCP34
SpectraBase Batch ID ClnWCUctOoc