| SpectraBase Compound ID | BKXdWYa0eaq |
|---|---|
| InChI | InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-37-32(53)26(62-38(58)36(37)57)20-61-39-35(56)33(54)31(52)25(18-48)63-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-40-34(55)30(51)24(50)19-60-40)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 | LIYYISQDBOCTCK-FEUZJAIPSA-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 | JaktoiTaiHx |
|---|---|
| Name | ASPEROSAPONIN-A;3-O-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE-(3->C-28) |
| 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)65-37-32(53)26(62-38(58)36(37)57)20-61-39-35(56)33(54)31(52)25(18-48)63-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-40-34(55)30(51)24(50)19-60-40)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 | LIYYISQDBOCTCK-FEUZJAIPSA-N |
| Literature Reference Author | D.JI,Y.WU,B.ZHANG,C.F.ZHANG,Z.L.YANG |
| Literature Reference Citation | FITOTERAPIA,83,843(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2012.03.004 |
| Molecular Weight | 929.110 g/mol |
| Sample ID | 71929 |
| Solvent | C5D5N |