![3.beta.-O-[.beta.-D-Galactopyranosyl-(1->3).beta.-D-glucopyranosyluronic-acid]-oleanolic-acid](/api/spectrum/9XmgeRcFZ0i/structure.png?h=300&w=458 "3.beta.-O-[.beta.-D-Galactopyranosyl-(1->3).beta.-D-glucopyranosyluronic-acid]-oleanolic-acid")
| SpectraBase Compound ID | 1TqLPTFY50b |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,34?,35?,39?,40+,41?,42-/m1/s1 |
| InChIKey | BQPYEFAVIPEQIK-ILFGOMPVSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XmgeRcFZ0i |
|---|---|
| Name | 3.beta.-O-[.beta.-D-Galactopyranosyl-(1->3).beta.-D-glucopyranosyluronic-acid]-oleanolic-acid |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,34?,35?,39?,40+,41?,42-/m1/s1 |
| InChIKey | BQPYEFAVIPEQIK-ILFGOMPVSA-N |
| Instrument Name | SF = 250 MHz |
| Literature Reference | J. Nat. Products 50, 927 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3OD |