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[28,28,28-(2)H(3)]-LUPEOL

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[28,28,28-(2)H(3)]-LUPEOL
SpectraBase Compound ID 73iRxjaH6Tw
InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1/i5D3
InChIKey MQYXUWHLBZFQQO-VFTACIJZSA-N
Mol Weight 429.7 g/mol
Molecular Formula C30H472H3O
Exact Mass 429.404996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaiHPJVHdOK
Name [28,28,28-(2)H(3)]-LUPEOL
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H472H3O
InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1/i5D3
InChIKey MQYXUWHLBZFQQO-VFTACIJZSA-N
Literature Reference Author K.OHYAMA,M.SUZUKI,K.MASUDA,S.YOSHIDA,T.MURANAKA
Literature Reference Citation CHEM.PHARM.BULL.,55,1518(2007)
Literature Reference DOI 10.1248/cpb.55.1518
Molecular Weight 429.745 g/mol
Sample ID 33475
Solvent CDCl3