John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=103C1hgRALm SpectraBase Spectrum ID=6URa3PBf8cb

(accessed ).
PURPUREDIOLIN;ACETOGENIN
SpectraBase Compound ID 103C1hgRALm
InChI InChI=1S/C37H66O8/c1-3-4-13-18-29(38)30(39)20-16-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)19-15-12-10-8-6-5-7-9-11-14-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31+,32+,33+,34-,35+,36-/m0/s1
InChIKey SWLPIUHJTSWWOJ-UZKQCQFFSA-N
Mol Weight 638.9 g/mol
Molecular Formula C37H66O8
Exact Mass 638.47577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6URa3PBf8cb
Name PURPUREDIOLIN;ACETOGENIN
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-4-13-18-29(38)30(39)20-16-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)19-15-12-10-8-6-5-7-9-11-14-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31+,32+,33+,34-,35+,36-/m0/s1
InChIKey SWLPIUHJTSWWOJ-UZKQCQFFSA-N
Literature Reference Author D.CHAVEZ,R.MATA
Literature Reference Citation J.NAT.PROD.,61,580(1998)
Literature Reference DOI 10.1021/np970410+
Molecular Weight 638.926 g/mol
Solvent CDCl3
Source File Reference UWMZ391
SpectraBase Batch ID JTUNAW2JogE