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Cucurbita-5,23(E)-diene-3.beta.,7.beta.,25-triol

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Cucurbita-5,23(E)-diene-3.beta.,7.beta.,25-triol
SpectraBase Compound ID 5yfqCUviqJL
InChI InChI=1S/C30H50O3/c1-19(10-9-14-26(2,3)33)20-13-15-30(8)25-23(31)18-22-21(11-12-24(32)27(22,4)5)28(25,6)16-17-29(20,30)7/h9,14,18-21,23-25,31-33H,10-13,15-17H2,1-8H3/b14-9+/t19-,20-,21-,23+,24+,25-,28+,29-,30+/m1/s1
InChIKey FDINJVUVNVFMKX-NGPVLLJVSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyRd8aEdEz
Name CUCURBITA-5,23-(E)-DIENE-3-BETA,7-BETA,25-TRIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-19(10-9-14-26(2,3)33)20-13-15-30(8)25-23(31)18-22-21(11-12-24(32)27(22,4)5)28(25,6)16-17-29(20,30)7/h9,14,18-21,23-25,31-33H,10-13,15-17H2,1-8H3/b14-9+/t19-,20-,21-,23+,24+,25-,28+,29-,30+/m1/s1
InChIKey FDINJVUVNVFMKX-NGPVLLJVSA-N
Literature Reference Author C.I.CHANG,C.R.CHEN,Y.W.LIAO,H.L.CHENG,Y.C.CHEN,C.H.CHOU
Literature Reference Citation J.NAT.PROD.,71,1327(2008)
Literature Reference DOI 10.1021/np070532u
Molecular Weight 458.725 g/mol
Sample ID 28414
Solvent CDCl3