| SpectraBase Compound ID | JluWxlun1N3 |
|---|---|
| InChI | InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27?,28?,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| InChIKey | CCRXMHCQWYVXTE-GGESCMBMSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C47H76O18 |
| Exact Mass | 928.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBPOqLOybB |
|---|---|
| Name | AKEBIA_SAPONIN_D;3-O-ALPHA-L-ARABINOPYRANOSYL_HEDERAGENIN_28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O18 |
| InChI | InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27?,28?,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| InChIKey | CCRXMHCQWYVXTE-GGESCMBMSA-N |
| Literature Reference Author | I.KOUNO,A.TSUBOI,M.NANRI,N.KAWANO |
| Literature Reference Citation | PHYTOCHEM.,29,338(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89068-K |
| Molecular Weight | 929.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25401 |