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LUPANE-3-BETA,16-BETA,20-TRIOL_3-PALMITATE
SpectraBase Compound ID 9lrKACp6QXX
InChI InChI=1S/C46H82O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(48)50-38-28-30-43(6)35(41(38,2)3)27-31-45(8)36(43)25-24-34-40-33(42(4,5)49)26-29-44(40,7)37(47)32-46(34,45)9/h33-38,40,47,49H,10-32H2,1-9H3
InChIKey LQEFSCNTMLXCIJ-UHFFFAOYSA-N
Mol Weight 699.2 g/mol
Molecular Formula C46H82O4
Exact Mass 698.621311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rJv5sstf1L
Name LUPANE-3-BETA,16-BETA,20-TRIOL_3-PALMITATE
Compound Number 14C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H82O4
InChI InChI=1S/C46H82O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(48)50-38-28-30-43(6)35(41(38,2)3)27-31-45(8)36(43)25-24-34-40-33(42(4,5)49)26-29-44(40,7)37(47)32-46(34,45)9/h33-38,40,47,49H,10-32H2,1-9H3
InChIKey LQEFSCNTMLXCIJ-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 699.155 g/mol
Solvent CDCl3
Source File Reference UWMZ48516