| SpectraBase Compound ID | L4lhCi1G286 |
|---|---|
| InChI | InChI=1S/C56H84O21/c1-26(58)34-18-20-56(65)35-16-15-32-21-33(17-19-54(32,6)43(35)50(51(55(34,56)7)71-30(5)59)76-52(64)31-13-11-10-12-14-31)72-40-22-36(60)47(27(2)68-40)74-41-23-37(66-8)48(28(3)69-41)75-42-24-38(67-9)49(29(4)70-42)77-53-46(63)45(62)44(61)39(25-57)73-53/h10-14,27-29,32-51,53,57,60-63,65H,15-25H2,1-9H3/t27-,28-,29-,32-,33-,34+,35+,36+,37+,38+,39-,40+,41+,42-,43+,44-,45+,46-,47-,48-,49-,50-,51+,53+,54-,55-,56-/m0/s1 |
| InChIKey | CDTCGWCBIBXXSA-GIJRPCKUSA-N |
| Mol Weight | 1093.3 g/mol |
| Molecular Formula | C56H84O21 |
| Exact Mass | 1092.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FyIZkQ6Qu75 |
|---|---|
| Name | CYNAFOSIDE-B;CYNAFOGENINE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H84O21 |
| InChI | InChI=1S/C56H84O21/c1-26(58)34-18-20-56(65)35-16-15-32-21-33(17-19-54(32,6)43(35)50(51(55(34,56)7)71-30(5)59)76-52(64)31-13-11-10-12-14-31)72-40-22-36(60)47(27(2)68-40)74-41-23-37(66-8)48(28(3)69-41)75-42-24-38(67-9)49(29(4)70-42)77-53-46(63)45(62)44(61)39(25-57)73-53/h10-14,27-29,32-51,53,57,60-63,65H,15-25H2,1-9H3/t27-,28-,29-,32-,33-,34+,35+,36+,37+,38+,39-,40+,41+,42-,43+,44-,45+,46-,47-,48-,49-,50-,51+,53+,54-,55-,56-/m0/s1 |
| InChIKey | CDTCGWCBIBXXSA-GIJRPCKUSA-N |
| Literature Reference Author | S.TSUKAMOTO,K.HAYASHI,H.MITSUHASHI,F.O.SNYCKERS,T.G.FOURIE |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,4807(1985) |
| Literature Reference DOI | 10.1248/cpb.33.4807 |
| Molecular Weight | 1093.270 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED7093 |