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Methyl-3.alpha.-hydroxyolean-12-en-27-oate
SpectraBase Compound ID 4WGDbqiI8oo
InChI InChI=1S/C31H50O3/c1-26(2)15-16-28(5)17-18-31(25(33)34-8)20(21(28)19-26)9-10-23-29(6)13-12-24(32)27(3,4)22(29)11-14-30(23,31)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24+,28+,29-,30+,31+/m0/s1
InChIKey HEDYWHFMTAMIIX-QEJUJUDWSA-N
Mol Weight 470.7 g/mol
Molecular Formula C31H50O3
Exact Mass 470.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9eyf5ItQOD
Name METHYL-3-ALPHA-HYDROXYOLEAN-12-EN-27-OATE
CAS Registry Number 86782-62-9
Compound Number 3 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O3
InChI InChI=1S/C31H50O3/c1-26(2)15-16-28(5)17-18-31(25(33)34-8)20(21(28)19-26)9-10-23-29(6)13-12-24(32)27(3,4)22(29)11-14-30(23,31)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24+,28+,29-,30+,31+/m0/s1
InChIKey HEDYWHFMTAMIIX-QEJUJUDWSA-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 470.736 g/mol
Solvent CDCl3
Source File Reference UNIW11621