| SpectraBase Compound ID | AkwXsxBuBMh |
|---|---|
| InChI | InChI=1S/C51H84O25/c1-19(18-68-45-41(65)37(61)33(57)28(14-52)70-45)7-10-51(67)20(2)32-27(76-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)69-47-43(39(63)35(59)30(16-54)72-47)75-48-44(40(64)36(60)31(17-55)73-48)74-46-42(66)38(62)34(58)29(15-53)71-46/h5,19-20,22-48,52-67H,6-18H2,1-4H3/t19-,20-,22+,23-,24-,25+,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-,51+/m0/s1 |
| InChIKey | JQGDCAZICJOHKT-XWFSZGKDSA-N |
| Mol Weight | 1097.2 g/mol |
| Molecular Formula | C51H84O25 |
| Exact Mass | 1096.530168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SLvAKbiP6v |
|---|---|
| Name | FISTULOSAPONIN_F;(25-R)-26-O-BETA-D-GLUCOPYRANOSYL-5-ENEFUROSTAN-2-ALPHA,3-BETA,22-ALPHA,26-TETRAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2) |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O25 |
| InChI | InChI=1S/C51H84O25/c1-19(18-68-45-41(65)37(61)33(57)28(14-52)70-45)7-10-51(67)20(2)32-27(76-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)69-47-43(39(63)35(59)30(16-54)72-47)75-48-44(40(64)36(60)31(17-55)73-48)74-46-42(66)38(62)34(58)29(15-53)71-46/h5,19-20,22-48,52-67H,6-18H2,1-4H3/t19-,20-,22+,23-,24-,25+,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-,51+/m0/s1 |
| InChIKey | JQGDCAZICJOHKT-XWFSZGKDSA-N |
| Literature Reference Author | W.LAI,Z.WU,H.LIN,T.LI,L.SUN,Y.CHAI,W.CHEN |
| Literature Reference Citation | J.NAT.PROD.,73,1053(2010) |
| Literature Reference DOI | 10.1021/np900815p |
| Molecular Weight | 1097.213 g/mol |
| Sample ID | 35641 |
| Solvent | C5D5N |