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MIXTURE
SpectraBase Compound ID GrIRfPe14CV
InChI InChI=1S/C56H104O13/c1-43(2)22-14-27-49(5,61)29-17-31-51(7,63)33-19-35-53(9,65)37-21-38-54(10,66)36-20-34-52(8,64)32-18-30-50(6,62)28-15-25-44(3)23-13-24-45(4)26-16-39-56(12,68)46(57)42-69-48(60)41-55(11,67)40-47(58)59/h22-23,26,46,57,61-68H,13-21,24-25,27-42H2,1-12H3,(H,58,59)/b44-23+,45-26+/t46-,49?,50?,51?,52?,53?,54?,55+,56+/m0/s1
InChIKey MPAUMIBHMNYNRN-DFVPGGIJSA-N
Mol Weight 985.4 g/mol
Molecular Formula C56H104O13
Exact Mass 984.747693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FymqkkHHZac
Name MIXTURE
Compound Number 2AB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H104O13
InChI InChI=1S/C56H104O13/c1-43(2)22-14-27-49(5,61)29-17-31-51(7,63)33-19-35-53(9,65)37-21-38-54(10,66)36-20-34-52(8,64)32-18-30-50(6,62)28-15-25-44(3)23-13-24-45(4)26-16-39-56(12,68)46(57)42-69-48(60)41-55(11,67)40-47(58)59/h22-23,26,46,57,61-68H,13-21,24-25,27-42H2,1-12H3,(H,58,59)/b44-23+,45-26+/t46-,49?,50?,51?,52?,53?,54?,55+,56+/m0/s1
InChIKey MPAUMIBHMNYNRN-DFVPGGIJSA-N
Literature Reference Author M.TANAKA,K.HASHIMOTO,T.OKUNO,H.SHIRAHAMA
Literature Reference Citation PHYTOCHEM.,34,661(1993)
Literature Reference DOI 10.1016/0031-9422(93)85335-O
Molecular Weight 985.434 g/mol
Solvent CD3OD
Source File Reference UWSI20528