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3,4-SECO-LUP-20(29)-EN-3-OIC-ACID
SpectraBase Compound ID Ip3lq30FkrP
InChI InChI=1S/C30H50O2/c1-19(2)22-14-18-28(6)24(27(22,5)16-15-26(31)32)11-12-25-29(28,7)17-13-21-9-10-23(20(3)4)30(21,25)8/h19,21-25H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22+,23?,24-,25+,27+,28-,29-,30-/m1/s1
InChIKey YTDNPSXZIUINLW-KPSXADLVSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8p4dz4yIUwa
Name 3,4-SECO-LUP-20(29)-EN-3-OIC-ACID
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19(2)22-14-18-28(6)24(27(22,5)16-15-26(31)32)11-12-25-29(28,7)17-13-21-9-10-23(20(3)4)30(21,25)8/h19,21-25H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22+,23?,24-,25+,27+,28-,29-,30-/m1/s1
InChIKey YTDNPSXZIUINLW-KPSXADLVSA-N
Literature Reference Author G.F.SOUSA,L.P.DUARTE,A.F.C.ALCANTARA,G.D.F.SILVA,S.A.VIEIRA- FILHO,R.R.SILVA,D.M.
Literature Reference Citation MOLECULES,17,13439(2012)
Literature Reference DOI 10.3390/molecules171113439
Molecular Weight 442.726 g/mol
Sample ID 1597
Solvent CDCl3