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3-OXO-OLEAN-12-EN-28-OIC-ACID;OLEANONIC-ACID
SpectraBase Compound ID E9yWZpIOuRT
InChI InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
InChIKey FMIMFCRXYXVFTA-FUAOEXFOSA-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 LhWfAnOS6Ts
Name 3-OXO-OLEAN-12-EN-28-OIC-ACID;OLEANONIC-ACID
Compound Number 2
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)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
InChIKey FMIMFCRXYXVFTA-FUAOEXFOSA-N
Literature Reference Author B.N.IRUNGU,J.A.ORWA,A.GRUNHONJIC,P.A.FITZPATRICK,G.LANDBERG, F.KIMANI,J.MIDIWO
Literature Reference Citation MOLECULES,19,14235(2014)
Literature Reference DOI 10.3390/molecules190914235
Molecular Weight 454.693 g/mol
Solvent DMSO-D6
Source File Reference UWIR15366