John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4Ra7sUeh6xp SpectraBase Spectrum ID=10Gfko6aWVf

(accessed ).
SCULPONIN_E
SpectraBase Compound ID 4Ra7sUeh6xp
InChI InChI=1S/C40H50O12/c1-34(2)22(42)11-24-38(15-47-29(43)26(34)38)21-5-4-18-13-36(21,32(45)51-24)31(44)40(18)9-6-19-17-10-20(41)25-37(12-17,28(19)52-40)33(46)50-23-7-8-35(3)14-48-30-27(35)39(23,25)16-49-30/h17-18,20-27,29-30,41-43H,4-16H2,1-3H3/t17-,18-,20-,21-,22+,23+,24+,25-,26-,27-,29-,30+,35+,36+,37+,38-,39+,40+/m1/s1
InChIKey FNVZLPATTUHFSQ-XMTGFYARSA-N
Mol Weight 722.8 g/mol
Molecular Formula C40H50O12
Exact Mass 722.330228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 10Gfko6aWVf
Name SCULPONIN_E
Compound Number 2
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H50O12
InChI InChI=1S/C40H50O12/c1-34(2)22(42)11-24-38(15-47-29(43)26(34)38)21-5-4-18-13-36(21,32(45)51-24)31(44)40(18)9-6-19-17-10-20(41)25-37(12-17,28(19)52-40)33(46)50-23-7-8-35(3)14-48-30-27(35)39(23,25)16-49-30/h17-18,20-27,29-30,41-43H,4-16H2,1-3H3/t17-,18-,20-,21-,22+,23+,24+,25-,26-,27-,29-,30+,35+,36+,37+,38-,39+,40+/m1/s1
InChIKey FNVZLPATTUHFSQ-XMTGFYARSA-N
Literature Reference Author L.M.LI,G.Y.LI,J.X.PU,W.L.PU,W.L.XIAO,L.S.DING,H.D.SUN
Literature Reference Citation J.NAT.PROD.,72,1851(2009)
Literature Reference DOI 10.1021/np900406c
Molecular Weight 722.830 g/mol
Sample ID 33731
Solvent C5D5N
SpectraBase Batch ID gnTDozd3IA