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ASPRELLIC-ACID-A;3,27-DI-O-TRANS-COUMAROYL-3-BETA,27-DIHYDROXYOLEAN-12-EN-28-OIC-ACID
SpectraBase Compound ID 9JzmhCUWO3j
InChI InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12+/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1
InChIKey YBOIBOWMTWFCEG-MVYRAAOISA-N
Mol Weight 765.0 g/mol
Molecular Formula C48H60O8
Exact Mass 764.428819 g/mol
Enantiomer InChIKey YBOIBOWMTWFCEG-LYOKQEGBSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent PYRIDINE-D5
Title Journal or Book Year
Antitumor Agents, 145. Cytotoxic Asprellic Acids A and C and Asprellic Acid B, New p-Coumaroyl Triterpenes, from Ilex asprella Journal of Natural Products 1993

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