| SpectraBase Compound ID | KPFXNUeSkk |
|---|---|
| InChI | InChI=1S/C57H92O25/c1-52(2)14-16-57(51(72)82-48-41(70)38(67)36(65)29(19-58)76-48)17-15-55(6)24(25(57)18-52)8-9-32-54(5)12-11-33(53(3,4)31(54)10-13-56(32,55)7)78-50-45(81-47-40(69)35(64)27(61)22-74-47)43(28(62)23-75-50)79-49-42(71)44(37(66)30(20-59)77-49)80-46-39(68)34(63)26(60)21-73-46/h8,25-50,58-71H,9-23H2,1-7H3/t25?,26-,27-,28+,29-,30-,31?,32?,33+,34+,35+,36-,37-,38+,39-,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,50+,54+,55-,56-,57+/m1/s1 |
| InChIKey | BSHFRUPANBEAAX-QMJRBVDCSA-N |
| Mol Weight | 1177.3 g/mol |
| Molecular Formula | C57H92O25 |
| Exact Mass | 1176.592768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IPpvCOLaQE5 |
|---|---|
| Name | ARALIASAPONIN-I;28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->2) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O25 |
| InChI | InChI=1S/C57H92O25/c1-52(2)14-16-57(51(72)82-48-41(70)38(67)36(65)29(19-58)76-48)17-15-55(6)24(25(57)18-52)8-9-32-54(5)12-11-33(53(3,4)31(54)10-13-56(32,55)7)78-50-45(81-47-40(69)35(64)27(61)22-74-47)43(28(62)23-75-50)79-49-42(71)44(37(66)30(20-59)77-49)80-46-39(68)34(63)26(60)21-73-46/h8,25-50,58-71H,9-23H2,1-7H3/t25?,26-,27-,28+,29-,30-,31?,32?,33+,34+,35+,36-,37-,38+,39-,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,50+,54+,55-,56-,57+/m1/s1 |
| InChIKey | BSHFRUPANBEAAX-QMJRBVDCSA-N |
| Literature Reference Author | T.MIYASE,K.I.SHIOKAWA,D.M.ZHANG,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,41,1411(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00788-1 |
| Molecular Weight | 1177.342 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU4424 |