| SpectraBase Compound ID | 1sTaNNlr16n |
|---|---|
| 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-XUTSIFHLSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69SWm54XK3D |
|---|---|
| Name | Oleanolic-acid-3-sophoroside |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. 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-XUTSIFHLSA-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 |