![3-O-[.beta.-D-Galactopyranosyl-(1->3).beta.-D-glucopyranosyl]-oleanolic-acid-28-O.beta.-D-glucopyranoside](/api/spectrum/5L2NFLuyyqb/structure.png?h=300&w=458 "3-O-[.beta.-D-Galactopyranosyl-(1->3).beta.-D-glucopyranosyl]-oleanolic-acid-28-O.beta.-D-glucopyranoside")
| SpectraBase Compound ID | 7SGzcalYeS0 |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-40-36(58)34(56)31(53)25(20-50)62-40)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-37(59)38(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,45?,46-,47?,48-/m1/s1 |
| InChIKey | MHCDFIFLMYBWIV-KGGSTYQBSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5L2NFLuyyqb |
|---|---|
| Name | 3-O-[.beta.-D-Galactopyranosyl-(1->3).beta.-D-glucopyranosyl]-oleanolic-acid-28-O.beta.-D-glucopyranoside |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-40-36(58)34(56)31(53)25(20-50)62-40)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-37(59)38(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,45?,46-,47?,48-/m1/s1 |
| InChIKey | MHCDFIFLMYBWIV-KGGSTYQBSA-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 |