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Methyl 3.beta.,24-dihydroxy-urs-12-en-28-oate
SpectraBase Compound ID KCvq8EcrkAd
InChI InChI=1S/C31H50O4/c1-19-10-15-31(26(34)35-7)17-16-29(5)21(25(31)20(19)2)8-9-23-27(3)13-12-24(33)28(4,18-32)22(27)11-14-30(23,29)6/h8,19-20,22-25,32-33H,9-18H2,1-7H3/t19-,20+,22?,23?,24+,25+,27+,28-,29-,30-,31+/m1/s1
InChIKey NNDZXJBMKVWZKK-QNQMKPOVSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJyyYWJ0GZN
Name METHYL-3-BETA,24-DIHYDROXY-URS-12-EN-28-OATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-19-10-15-31(26(34)35-7)17-16-29(5)21(25(31)20(19)2)8-9-23-27(3)13-12-24(33)28(4,18-32)22(27)11-14-30(23,29)6/h8,19-20,22-25,32-33H,9-18H2,1-7H3/t19-,20+,22?,23?,24+,25+,27+,28-,29-,30-,31+/m1/s1
InChIKey NNDZXJBMKVWZKK-QNQMKPOVSA-N
Literature Reference Author C.Y.DUH,J.M.PEZZUTO,A.D.KINGHORN,S.L.LEUNG,N.R.FARNSWORTH
Literature Reference Citation J.NAT.PROD.,50,63(1987)
Literature Reference DOI 10.1021/np50049a010
Molecular Weight 486.736 g/mol
Solvent CDCl3
Source File Reference UWBK291