John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=D5LkNhCJcna SpectraBase Spectrum ID=29r4cYxAGNC

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NIMBOLIDIN-D
SpectraBase Compound ID D5LkNhCJcna
InChI InChI=1S/C41H54O12/c1-12-21(3)37(45)52-31-18-30(51-25(7)43)39(8)20-49-34-35(39)40(31,9)29(17-32(44)47-11)41(10,36(34)53-38(46)22(4)13-2)33-23(5)27(26-14-15-48-19-26)16-28(33)50-24(6)42/h12-15,19,27-31,34-36H,16-18,20H2,1-11H3/b21-12+,22-13+/t27-,28+,29-,30-,31+,34-,35?,36-,39-,40+,41-/m1/s1
InChIKey OVHISROARAUEPB-WFHLMOMESA-N
Mol Weight 738.9 g/mol
Molecular Formula C41H54O12
Exact Mass 738.361528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29r4cYxAGNC
Name NIMBOLIDIN-D
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H54O12
InChI InChI=1S/C41H54O12/c1-12-21(3)37(45)52-31-18-30(51-25(7)43)39(8)20-49-34-35(39)40(31,9)29(17-32(44)47-11)41(10,36(34)53-38(46)22(4)13-2)33-23(5)27(26-14-15-48-19-26)16-28(33)50-24(6)42/h12-15,19,27-31,34-36H,16-18,20H2,1-11H3/b21-12+,22-13+/t27-,28+,29-,30-,31+,34-,35?,36-,39-,40+,41-/m1/s1
InChIKey OVHISROARAUEPB-WFHLMOMESA-N
Literature Reference Author M.NAKATANI,J.B.ZHOU,N.NAKAYAMA,H.OKAMURA,T.IWAGAWA
Literature Reference Citation PHYTOCHEM.,41,739(1996)
Literature Reference DOI 10.1016/0031-9422(95)00696-6
Molecular Weight 738.873 g/mol
Solvent CDCl3
Source File Reference UWLU4020
SpectraBase Batch ID 6rg19cUPuAc