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Oleanolic-acid-3-sophoroside
SpectraBase Compound ID KdRB9eVzCgv
InChI InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-33(31(48)29(46)24(20-44)53-35)55-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22-,23-,24?,25?,26-,27?,28+,29?,30+,31?,32+,33?,34+,35?,39?,40+,41-,42+/m0/s1
InChIKey LEQCLUFJRGKLOA-UPJKIYLHSA-N
Mol Weight 781.0 g/mol
Molecular Formula C42H68O13
Exact Mass 780.465992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69SWm54XK3D
Name Oleanolic-acid-3-sophoroside
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H68O13
InChI InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-33(31(48)29(46)24(20-44)53-35)55-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22-,23-,24?,25?,26-,27?,28+,29?,30+,31?,32+,33?,34+,35?,39?,40+,41-,42+/m0/s1
InChIKey LEQCLUFJRGKLOA-UPJKIYLHSA-N
Instrument Name SF = 100 MHz
Literature Reference Phytochem. 26, 1101 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5