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3-Oxoolean-12-en-27-oic-acid
SpectraBase Compound ID DPoLmXFXbUB
InChI InChI=1S/C30H46O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)
InChIKey DQHMTWAVBRLUSK-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C30H46O3
Exact Mass 454.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6o467zkxTTo
Name 3-OXOOLEAN-12-EN-27-OIC-ACID
CAS Registry Number 86747-46-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O3
InChI InChI=1S/C30H46O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)
InChIKey DQHMTWAVBRLUSK-UHFFFAOYSA-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 454.693 g/mol
Solvent CDCl3
Source File Reference UNIW11624