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3,4-SECO-21-BETA-H-HOP-22(29)-EN-3-OIC-ACID
SpectraBase Compound ID 3GzBMLszhGC
InChI InChI=1S/C30H50O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h20-25H,1,9-18H2,2-8H3,(H,31,32)/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey SNLQNHMRMCVGLD-PYQRSULMSA-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 5B6TgGnOfxF
Name 3,4-SECO-21-BETA-H-HOP-22(29)-EN-3-OIC-ACID
Compound Number 10
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)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h20-25H,1,9-18H2,2-8H3,(H,31,32)/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey SNLQNHMRMCVGLD-PYQRSULMSA-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 1596
Solvent CDCl3