John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=L8qhRmDVP63 SpectraBase Spectrum ID=29h7zRv57tN

(accessed ).
3-BETA,23,28-TRIHYDROXY-12-URSENE
SpectraBase Compound ID L8qhRmDVP63
InChI InChI=1S/C30H50O3/c1-19-9-14-30(18-32)16-15-28(5)21(25(30)20(19)2)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h7,19-20,22-25,31-33H,8-18H2,1-6H3/t19-,20+,22-,23-,24+,25+,26+,27+,28-,29-,30-/m1/s1
InChIKey QFXTWLGVOHRXRN-STADAPJBSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29h7zRv57tN
Name 3-BETA,23,28-TRIHYDROXY-12-URSENE
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-19-9-14-30(18-32)16-15-28(5)21(25(30)20(19)2)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h7,19-20,22-25,31-33H,8-18H2,1-6H3/t19-,20+,22-,23-,24+,25+,26+,27+,28-,29-,30-/m1/s1
InChIKey QFXTWLGVOHRXRN-STADAPJBSA-N
Literature Reference Author J.A.GUERRERO-ANALCO,L.MARTINEAU,A.SALEEM,P.MADIRAJU,A.MUHAMM AD,T.DURST,P.HADDAD,
Literature Reference Citation J.NAT.PROD.,73,1519(2010)
Literature Reference DOI 10.1021/np1003005
Molecular Weight 458.725 g/mol
Sample ID 36323
Solvent C5D5N
SpectraBase Batch ID AeRv6Km0NB4