John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HjIBiiDGHzc SpectraBase Spectrum ID=11HhDik5PP

(accessed ).
DECIPININ-A
SpectraBase Compound ID HjIBiiDGHzc
InChI InChI=1S/C31H36O12/c1-5-6-7-8-9-10-11-12-26(36)41-29-21-17-23(33)30(4,43-20(3)32)28(38)22(21)18-39-31(29)24(14-13-19(2)42-31)40-27(37)16-15-25(34)35/h7-12,17-19,24,29H,5-6,13-16H2,1-4H3,(H,34,35)/b8-7+,10-9+,12-11+/t19?,24?,29-,30?,31-/m0/s1
InChIKey BNUGSCJDRYIKLJ-FOYUAUEXSA-N
Mol Weight 600.6 g/mol
Molecular Formula C31H36O12
Exact Mass 600.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11HhDik5PP
Name DECIPININ-A
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O12
InChI InChI=1S/C31H36O12/c1-5-6-7-8-9-10-11-12-26(36)41-29-21-17-23(33)30(4,43-20(3)32)28(38)22(21)18-39-31(29)24(14-13-19(2)42-31)40-27(37)16-15-25(34)35/h7-12,17-19,24,29H,5-6,13-16H2,1-4H3,(H,34,35)/b8-7+,10-9+,12-11+/t19?,24?,29-,30?,31-/m0/s1
InChIKey BNUGSCJDRYIKLJ-FOYUAUEXSA-N
Literature Reference Author Y.CHE,J.B.GLOER,B.KOSTER,D.MALLOCH
Literature Reference Citation J.NAT.PROD.,65,916(2002)
Literature Reference DOI 10.1021/np010575p
Molecular Weight 600.620 g/mol
Solvent CDCl3
Source File Reference UWSI6109
SpectraBase Batch ID HUY83Ou6fa