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LUPANE-3-BETA,16-BETA,20-TRIOL_3-LAURATE
SpectraBase Compound ID jKs0hHULwd
InChI InChI=1S/C42H74O4/c1-10-11-12-13-14-15-16-17-18-19-35(44)46-34-24-26-39(6)31(37(34,2)3)23-27-41(8)32(39)21-20-30-36-29(38(4,5)45)22-25-40(36,7)33(43)28-42(30,41)9/h29-34,36,43,45H,10-28H2,1-9H3
InChIKey HGZFLNQPOQKPFR-UHFFFAOYSA-N
Mol Weight 643.1 g/mol
Molecular Formula C42H74O4
Exact Mass 642.558711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NG4Dzgvq5X
Name LUPANE-3-BETA,16-BETA,20-TRIOL_3-LAURATE
Compound Number 14 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H74O4
InChI InChI=1S/C42H74O4/c1-10-11-12-13-14-15-16-17-18-19-35(44)46-34-24-26-39(6)31(37(34,2)3)23-27-41(8)32(39)21-20-30-36-29(38(4,5)45)22-25-40(36,7)33(43)28-42(30,41)9/h29-34,36,43,45H,10-28H2,1-9H3
InChIKey HGZFLNQPOQKPFR-UHFFFAOYSA-N
Literature Reference Author T.J.SCHMIDT,J.VONRAISON,G.WILLUHN
Literature Reference Citation PLANTA.MED.,70,967(2004)
Literature Reference DOI 10.1055/s-2004-832624
Molecular Weight 643.047 g/mol
Solvent CDCl3
Source File Reference UWMZ48514