| SpectraBase Compound ID | FWrx0scc8oB |
|---|---|
| InChI | InChI=1S/C56H90O27/c1-20-8-11-56(73-18-20)21(2)34-28(83-56)13-27-25-7-6-23-12-24(9-10-54(23,4)26(25)14-33(60)55(27,34)5)75-51-45(71)41(67)46(31(17-59)78-51)80-53-48(82-52-44(70)40(66)36(62)29(15-57)76-52)47(38(64)30(16-58)77-53)81-49-42(68)37(63)32(19-72-49)79-50-43(69)39(65)35(61)22(3)74-50/h20-32,34-53,57-59,61-71H,6-19H2,1-5H3/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31-,32-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47-,48+,49+,50+,51-,52-,53-,54+,55-,56-/m1/s1 |
| InChIKey | ROAAODWNLXZXBS-BUDCTYQNSA-N |
| Mol Weight | 1195.3 g/mol |
| Molecular Formula | C56H90O27 |
| Exact Mass | 1194.566948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kLujgux3Er |
|---|---|
| Name | SAPONIN_4 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O27 |
| InChI | InChI=1S/C56H90O27/c1-20-8-11-56(73-18-20)21(2)34-28(83-56)13-27-25-7-6-23-12-24(9-10-54(23,4)26(25)14-33(60)55(27,34)5)75-51-45(71)41(67)46(31(17-59)78-51)80-53-48(82-52-44(70)40(66)36(62)29(15-57)76-52)47(38(64)30(16-58)77-53)81-49-42(68)37(63)32(19-72-49)79-50-43(69)39(65)35(61)22(3)74-50/h20-32,34-53,57-59,61-71H,6-19H2,1-5H3/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31-,32-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47-,48+,49+,50+,51-,52-,53-,54+,55-,56-/m1/s1 |
| InChIKey | ROAAODWNLXZXBS-BUDCTYQNSA-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 | 1195.314 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMB1214 |