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ASPRELLIC-ACID-B;3-O-TRANS-27-O-CIS-3-BETA,27-DIHYDROXYOLEAN-12-EN-28-OIC-ACID
SpectraBase Compound ID LKmqKfioxZF
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-ZJLYTHJXSA-N
Mol Weight 765.0 g/mol
Molecular Formula C48H60O8
Exact Mass 764.428819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BpBl0KySO7
Name ASPRELLIC-ACID-B;3-O-TRANS-27-O-CIS-3-BETA,27-DIHYDROXYOLEAN-12-EN-28-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H60O8
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-ZJLYTHJXSA-N
Literature Reference Author Y.KASHIWADA,D.C.ZHANG,Y.P.CHEN,C.M.CHENG,H.T.CHEN,H.C.CHANG, J.J.CHANG,K.H.LEE
Literature Reference Citation J.NAT.PROD.,56,2077(1993)
Literature Reference DOI 10.1021/np50102a008
Molecular Weight 765.000 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS17927