| SpectraBase Compound ID | 2cvuQy2O43Z |
|---|---|
| InChI | InChI=1S/C55H88O27/c1-20-7-10-55(73-17-20)21(2)34-29(82-55)12-26-24-6-5-22-11-23(8-9-53(22,3)25(24)13-33(61)54(26,34)4)74-50-42(69)39(66)44(32(16-58)77-50)78-52-47(46(38(65)31(15-57)76-52)80-49-41(68)36(63)28(60)19-72-49)81-51-43(70)45(37(64)30(14-56)75-51)79-48-40(67)35(62)27(59)18-71-48/h20-32,34-52,56-60,62-70H,5-19H2,1-4H3/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-/m1/s1 |
| InChIKey | VRHRSSKYXDMEDI-JAIKYFKFSA-N |
| Mol Weight | 1181.3 g/mol |
| Molecular Formula | C55H88O27 |
| Exact Mass | 1180.551298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2szMWCuwOeD |
|---|---|
| Name | SAPONIN_3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H88O27 |
| InChI | InChI=1S/C55H88O27/c1-20-7-10-55(73-17-20)21(2)34-29(82-55)12-26-24-6-5-22-11-23(8-9-53(22,3)25(24)13-33(61)54(26,34)4)74-50-42(69)39(66)44(32(16-58)77-50)78-52-47(46(38(65)31(15-57)76-52)80-49-41(68)36(63)28(60)19-72-49)81-51-43(70)45(37(64)30(14-56)75-51)79-48-40(67)35(62)27(59)18-71-48/h20-32,34-52,56-60,62-70H,5-19H2,1-4H3/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-/m1/s1 |
| InChIKey | VRHRSSKYXDMEDI-JAIKYFKFSA-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 | 1181.288 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMB1213 |