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Methyl-3.alpha.-acetoxyolean-12-en-27-oate
SpectraBase Compound ID FlN5hf49kwl
InChI InChI=1S/C33H52O4/c1-21(34)37-26-13-14-31(7)24(29(26,4)5)12-15-32(8)25(31)11-10-22-23-20-28(2,3)16-17-30(23,6)18-19-33(22,32)27(35)36-9/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26+,30+,31-,32+,33+/m0/s1
InChIKey BTXMQLPBVDWIIU-SUFAHHSGSA-N
Mol Weight 512.8 g/mol
Molecular Formula C33H52O4
Exact Mass 512.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrY0VBVkQgA
Name METHYL-3-ALPHA-ACETOXYOLEAN-12-EN-27-OATE
CAS Registry Number 86783-77-9
Compound Number 3 D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O4
InChI InChI=1S/C33H52O4/c1-21(34)37-26-13-14-31(7)24(29(26,4)5)12-15-32(8)25(31)11-10-22-23-20-28(2,3)16-17-30(23,6)18-19-33(22,32)27(35)36-9/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26+,30+,31-,32+,33+/m0/s1
InChIKey BTXMQLPBVDWIIU-SUFAHHSGSA-N
Literature Reference Author T.K.CHEN,D.C.ALES,N.C.BAENZIGER,D.F.WIEMER
Literature Reference Citation J.ORG.CHEM.,48,3525(1983)
Literature Reference DOI 10.1021/jo00168a030
Molecular Weight 512.773 g/mol
Solvent CDCl3
Source File Reference UNIW11623