| SpectraBase Compound ID | 2CPVXOsCKjV |
|---|---|
| InChI | InChI=1S/C42H68O16/c1-37(20-55-35-33(31(51)29(49)24(17-44)57-35)58-34-32(52)30(50)28(48)23(16-43)56-34)11-12-41(36(53)54)13-14-42(19-46)21(22(41)15-37)5-6-26-38(2)9-8-27(47)39(3,18-45)25(38)7-10-40(26,42)4/h5,22-35,43-52H,6-20H2,1-4H3,(H,53,54)/t22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32-,33-,34+,35-,37+,38-,39-,40+,41-,42-/m0/s1 |
| InChIKey | RIVOOHXKHNGREM-IVKFJFAJSA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C42H68O16 |
| Exact Mass | 828.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PRx0ynxTQp |
|---|---|
| Name | POLYGALASAPONIN-XLVII;3-BETA,23,27-TRIHYDROXY-29-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-OLEAN-12-EN-28-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O16 |
| InChI | InChI=1S/C42H68O16/c1-37(20-55-35-33(31(51)29(49)24(17-44)57-35)58-34-32(52)30(50)28(48)23(16-43)56-34)11-12-41(36(53)54)13-14-42(19-46)21(22(41)15-37)5-6-26-38(2)9-8-27(47)39(3,18-45)25(38)7-10-40(26,42)4/h5,22-35,43-52H,6-20H2,1-4H3,(H,53,54)/t22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32-,33-,34+,35-,37+,38-,39-,40+,41-,42-/m0/s1 |
| InChIKey | RIVOOHXKHNGREM-IVKFJFAJSA-N |
| Literature Reference Author | J.FU,L.ZUO,J.YANG,R.CHEN,D.ZHANG |
| Literature Reference Citation | PHYTOCHEM.,69,1617(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.01.010 |
| Molecular Weight | 828.992 g/mol |
| Sample ID | 44116 |
| Solvent | C5D5N |