| SpectraBase Compound ID | ASEBt89t0xT |
|---|---|
| InChI | InChI=1S/C45H74O17/c1-21(2)10-9-13-45(8,62-40-37(57)34(54)32(52)25(19-46)60-40)22-11-15-43(6)31(22)23(47)16-27-42(5)14-12-28(48)41(3,4)38(42)24(18-44(27,43)7)59-39-36(56)35(55)33(53)26(61-39)20-58-30(51)17-29(49)50/h10,22-28,31-40,46-48,52-57H,9,11-20H2,1-8H3,(H,49,50)/t22-,23+,24-,25+,26+,27?,28-,31-,32+,33+,34-,35-,36+,37+,38?,39+,40-,42+,43+,44+,45-/m0/s1 |
| InChIKey | YBQOLFRVPRVASB-MUOGBKNVSA-N |
| Mol Weight | 887.1 g/mol |
| Molecular Formula | C45H74O17 |
| Exact Mass | 886.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lLs4PkJ1Hi |
|---|---|
| Name | 6'-O-CARBOXYACETYL_GINSENOSIDE_RG1 |
| Compound Number | 1E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O17 |
| InChI | InChI=1S/C45H74O17/c1-21(2)10-9-13-45(8,62-40-37(57)34(54)32(52)25(19-46)60-40)22-11-15-43(6)31(22)23(47)16-27-42(5)14-12-28(48)41(3,4)38(42)24(18-44(27,43)7)59-39-36(56)35(55)33(53)26(61-39)20-58-30(51)17-29(49)50/h10,22-28,31-40,46-48,52-57H,9,11-20H2,1-8H3,(H,49,50)/t22-,23+,24-,25+,26+,27?,28-,31-,32+,33+,34-,35-,36+,37+,38?,39+,40-,42+,43+,44+,45-/m0/s1 |
| InChIKey | YBQOLFRVPRVASB-MUOGBKNVSA-N |
| Literature Reference Author | B.DANIELI,M.LUISETTI,S.RIVA,A.BERTINOTTI,E.RAGG,L.SCAGLIONI, E.BOMBARDELLI |
| Literature Reference Citation | J.ORG.CHEM.,60,3637(1995) |
| Literature Reference DOI | 10.1021/jo00117a012 |
| Molecular Weight | 887.072 g/mol |
| Solvent | DMSO-D6:D2O |
| Source File Reference | UWMZ2326 |