| SpectraBase Compound ID | LZGGF0hCNeX |
|---|---|
| InChI | InChI=1S/C56H90O23/c1-25-49(34(66-6)19-40(71-25)74-30-11-14-54(4)29(18-30)9-10-33-32(54)12-15-55(5)31(13-16-56(33,55)65)28-17-39(58)69-23-28)77-41-20-35(67-7)50(26(2)72-41)78-42-21-36(68-8)51(27(3)73-42)79-53-48(64)46(62)44(60)38(76-53)24-70-52-47(63)45(61)43(59)37(22-57)75-52/h17,25-27,29-38,40-53,57,59-65H,9-16,18-24H2,1-8H3/t25-,26+,27?,29-,30+,31-,32?,33?,34+,35-,36-,37+,38+,40+,41-,42+,43+,44+,45-,46-,47+,48+,49-,50+,51+,52+,53-,54+,55-,56+/m1/s1 |
| InChIKey | AHDGXUKUESFGPM-WOYCQZRFSA-N |
| Mol Weight | 1131.3 g/mol |
| Molecular Formula | C56H90O23 |
| Exact Mass | 1130.587289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqG1KhoBl15 |
|---|---|
| Name | DIGITOXIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-DIGINOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CY |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O23 |
| InChI | InChI=1S/C56H90O23/c1-25-49(34(66-6)19-40(71-25)74-30-11-14-54(4)29(18-30)9-10-33-32(54)12-15-55(5)31(13-16-56(33,55)65)28-17-39(58)69-23-28)77-41-20-35(67-7)50(26(2)72-41)78-42-21-36(68-8)51(27(3)73-42)79-53-48(64)46(62)44(60)38(76-53)24-70-52-47(63)45(61)43(59)37(22-57)75-52/h17,25-27,29-38,40-53,57,59-65H,9-16,18-24H2,1-8H3/t25-,26+,27?,29-,30+,31-,32?,33?,34+,35-,36-,37+,38+,40+,41-,42+,43+,44+,45-,46-,47+,48+,49-,50+,51+,52+,53-,54+,55-,56+/m1/s1 |
| InChIKey | AHDGXUKUESFGPM-WOYCQZRFSA-N |
| Literature Reference Author | G.M.CABRERA,M.E.DELUCA,A.M.SELDES,E.G.GROS,J.C.OBERTI,J.CROC KETT,M.L.GROSS |
| Literature Reference Citation | PHYTOCHEM.,32,1253(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95101-X |
| Molecular Weight | 1131.317 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU6429 |