| SpectraBase Compound ID | 17QI8Fv0JZM |
|---|---|
| InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+,42-,43+,44+,45-,46-,47-,48+,49-,50-/m1/s1 |
| InChIKey | IXUNZKARBRITGN-JCYGGXCVSA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C50H80O23 |
| Exact Mass | 1048.509039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7FsLN49rJE |
|---|---|
| Name | SAPONIN_2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O23 |
| InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+,42-,43+,44+,45-,46-,47-,48+,49-,50-/m1/s1 |
| InChIKey | IXUNZKARBRITGN-JCYGGXCVSA-N |
| Literature Reference Author | J.ESKANDER,C.LAVAUD,D.HARAKAT |
| Literature Reference Citation | FITOTERAPIA,81,371(2010) |
| Literature Reference DOI | 10.1016/j.fitote.2009.11.002 |
| Molecular Weight | 1049.171 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMB1212 |