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FOUQUIEROL_3-STEARATE
SpectraBase Compound ID HxEKqiRlPBs
InChI InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-43(50)52-42-31-32-45(6)40(44(42,4)5)30-34-47(8)41(45)27-26-37-38(28-33-46(37,47)7)48(9,51)35-29-39(49)36(2)3/h37-42,49,51H,2,10-35H2,1,3-9H3
InChIKey BLXPEOYXDQJEMH-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 DdhX13sbv8V
Name 24-EPIFOUQUIEROL_3-STEARATE
Compound Number 16D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H86O4
InChI InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-43(50)52-42-31-32-45(6)40(44(42,4)5)30-34-47(8)41(45)27-26-37-38(28-33-46(37,47)7)48(9,51)35-29-39(49)36(2)3/h37-42,49,51H,2,10-35H2,1,3-9H3
InChIKey BLXPEOYXDQJEMH-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 UWMZ48525