John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KNrm4FbCfD2 SpectraBase Spectrum ID=5xEqRpm4wDy

(accessed ).
TRICOLORIC-ACID
SpectraBase Compound ID KNrm4FbCfD2
InChI InChI=1S/C40H72O20/c1-5-6-12-15-22(16-13-10-8-7-9-11-14-17-24(42)43)56-39-35(30(49)26(45)20(3)55-39)60-40-36(31(50)28(47)23(18-41)57-40)59-38-33(52)34(27(46)21(4)54-38)58-37-32(51)29(48)25(44)19(2)53-37/h19-23,25-41,44-52H,5-18H2,1-4H3,(H,42,43)/t19-,20+,21-,22+,23+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40-/m1/s1
InChIKey BSKILVXYRQLWBD-CXCQHMKUSA-N
Mol Weight 873.0 g/mol
Molecular Formula C40H72O20
Exact Mass 872.461695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xEqRpm4wDy
Name TRICOLORIC-ACID
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H72O20
InChI InChI=1S/C40H72O20/c1-5-6-12-15-22(16-13-10-8-7-9-11-14-17-24(42)43)56-39-35(30(49)26(45)20(3)55-39)60-40-36(31(50)28(47)23(18-41)57-40)59-38-33(52)34(27(46)21(4)54-38)58-37-32(51)29(48)25(44)19(2)53-37/h19-23,25-41,44-52H,5-18H2,1-4H3,(H,42,43)/t19-,20+,21-,22+,23+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40-/m1/s1
InChIKey BSKILVXYRQLWBD-CXCQHMKUSA-N
Literature Reference Author R.PEREDA-MIRANDA,R.MATA,A.L.ANAYA,D.B.M.WICKRAMARATNE,J.M.PE ZZUTO,A.D.KINGHORN
Literature Reference Citation J.NAT.PROD.,56,571(1993)
Literature Reference DOI 10.1021/np50094a018
Molecular Weight 873.000 g/mol
Solvent PYRIDINE-D5
Source File Reference UWTS1231
SpectraBase Batch ID 5QlZUAc5IcM