John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ImMQGagAtXJ SpectraBase Spectrum ID=2AnCYPonl63

(accessed ).
LIGULAMULIENIN-A
SpectraBase Compound ID ImMQGagAtXJ
InChI InChI=1S/C29H42O4/c1-16-9-7-11-20-13-24(22(19(4)30)15-28(16,20)5)32-27-18(3)21-14-29(6)17(2)10-8-12-23(29)25(31)26(21)33-27/h16-17,20,23,25,31H,7-15H2,1-6H3/t16-,17-,20+,23+,25-,28+,29+/m0/s1
InChIKey NZBIQFAHPKZEGM-WBPHEPMBSA-N
Mol Weight 454.7 g/mol
Molecular Formula C29H42O4
Exact Mass 454.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AnCYPonl63
Name LIGULAMULIENIN-A
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O4
InChI InChI=1S/C29H42O4/c1-16-9-7-11-20-13-24(22(19(4)30)15-28(16,20)5)32-27-18(3)21-14-29(6)17(2)10-8-12-23(29)25(31)26(21)33-27/h16-17,20,23,25,31H,7-15H2,1-6H3/t16-,17-,20+,23+,25-,28+,29+/m0/s1
InChIKey NZBIQFAHPKZEGM-WBPHEPMBSA-N
Literature Reference Author D.Q.FEI,Q.H.WU,S.G.LI,K.GAO
Literature Reference Citation CHEM.PHARM.BULL.,58,467(2010)
Literature Reference DOI 10.1248/cpb.58.467
Molecular Weight 454.650 g/mol
Sample ID 3443
Solvent CDCl3
SpectraBase Batch ID 2HGvNKJZR5G