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LUPANE-3-BETA,16-BETA,20-TRIOL_3-STEARATE
SpectraBase Compound ID FUhqs3ZNer2
InChI InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-41(50)52-40-30-32-45(6)37(43(40,2)3)29-33-47(8)38(45)27-26-36-42-35(44(4,5)51)28-31-46(42,7)39(49)34-48(36,47)9/h35-40,42,49,51H,10-34H2,1-9H3
InChIKey JDURIPVPAGTZIO-UHFFFAOYSA-N
Mol Weight 727.2 g/mol
Molecular Formula C48H86O4
Exact Mass 726.652611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57HzewHukYR
Name LUPANE-3-BETA,16-BETA,20-TRIOL_3-STEARATE
Compound Number 1 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H86O4
InChI InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-41(50)52-40-30-32-45(6)37(43(40,2)3)29-33-47(8)38(45)27-26-36-42-35(44(4,5)51)28-31-46(42,7)39(49)34-48(36,47)9/h35-40,42,49,51H,10-34H2,1-9H3
InChIKey JDURIPVPAGTZIO-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 727.208 g/mol
Solvent CDCl3
Source File Reference UWMZ48517