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URSONIC-ACID;3-OXO-URS-12-EN-28-OIC-ACID
SpectraBase Compound ID 74nSxwHzEan
InChI InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1
InChIKey MUCRYNWJQNHDJH-OADIDDRXSA-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 4wcFyN48vCI
Name URSONIC-ACID;3-OXO-URS-12-EN-28-OIC-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/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1
InChIKey MUCRYNWJQNHDJH-OADIDDRXSA-N
Literature Reference Author A.IBRAHIM,S.I.KHALIFA,I.KHAFAGI,D.T.YOUSSEF,S.KHAN,M.MESBAH, I.KHAN
Literature Reference Citation CHEM.PHARM.BULL.,56,1253(2008)
Literature Reference DOI 10.1248/cpb.56.1253
Molecular Weight 454.693 g/mol
Sample ID 2108
Solvent C5D5N