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3-BETA,25-DIHYDROXY-7-BETA-METHOXYCUCURBITA-5,23-(E)-DIENE
SpectraBase Compound ID Dv828xUeJ5X
InChI InChI=1S/C31H52O3/c1-20(11-10-15-27(2,3)33)21-14-16-31(8)26-24(34-9)19-23-22(12-13-25(32)28(23,4)5)29(26,6)17-18-30(21,31)7/h10,15,19-22,24-26,32-33H,11-14,16-18H2,1-9H3/b15-10+/t20-,21-,22-,24+,25+,26?,29+,30-,31+/m1/s1
InChIKey DOXNRZCBQJYCBO-BFMBCFLVSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Z9JfpyICCA
Name 3-BETA,25-DIHYDROXY-7-BETA-METHOXYCUCURBITA-5,23-(E)-DIENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52O3
InChI InChI=1S/C31H52O3/c1-20(11-10-15-27(2,3)33)21-14-16-31(8)26-24(34-9)19-23-22(12-13-25(32)28(23,4)5)29(26,6)17-18-30(21,31)7/h10,15,19-22,24-26,32-33H,11-14,16-18H2,1-9H3/b15-10+/t20-,21-,22-,24+,25+,26?,29+,30-,31+/m1/s1
InChIKey DOXNRZCBQJYCBO-BFMBCFLVSA-N
Literature Reference Author L.HARINANTENAINA,M.TANAKA,S.TAKAOKA,M.ODA,O.MOGAMI,M.UCHIDA, Y.ASAKAWA
Literature Reference Citation CHEM.PHARM.BULL.,54,1017(2006)
Literature Reference DOI 10.1248/cpb.54.1017
Molecular Weight 472.752 g/mol
Sample ID 37222
Solvent CDCl3