| SpectraBase Compound ID | 4A1cc1zUzIS |
|---|---|
| InChI | InChI=1S/C46H76O16/c1-22(2)12-11-15-46(10,62-41-38(56)36(54)34(52)29(61-41)21-58-24(4)48)25-13-17-44(8)32(25)26(49)18-30-43(7)16-14-31(50)42(5,6)39(43)27(19-45(30,44)9)59-40-37(55)35(53)33(51)28(60-40)20-57-23(3)47/h12,25-41,49-56H,11,13-21H2,1-10H3/t25-,26+,27-,28+,29+,30?,31-,32-,33+,34+,35-,36-,37+,38+,39?,40+,41-,43+,44+,45+,46-/m0/s1 |
| InChIKey | ZOBJYEZQJRHXJG-LWMWWJLQSA-N |
| Mol Weight | 885.1 g/mol |
| Molecular Formula | C46H76O16 |
| Exact Mass | 884.513336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25fpaOuKGrp |
|---|---|
| Name | 6',6''-DI-O-ACETYL_GINSENOSIDE_RG1 |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H76O16 |
| InChI | InChI=1S/C46H76O16/c1-22(2)12-11-15-46(10,62-41-38(56)36(54)34(52)29(61-41)21-58-24(4)48)25-13-17-44(8)32(25)26(49)18-30-43(7)16-14-31(50)42(5,6)39(43)27(19-45(30,44)9)59-40-37(55)35(53)33(51)28(60-40)20-57-23(3)47/h12,25-41,49-56H,11,13-21H2,1-10H3/t25-,26+,27-,28+,29+,30?,31-,32-,33+,34+,35-,36-,37+,38+,39?,40+,41-,43+,44+,45+,46-/m0/s1 |
| InChIKey | ZOBJYEZQJRHXJG-LWMWWJLQSA-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 | 885.100 g/mol |
| Solvent | DMSO-D6:D2O |
| Source File Reference | UWMZ2323 |