| SpectraBase Compound ID | 9LYBPtgXeVM |
|---|---|
| InChI | InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21-,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-,52-,53-,54+,55-,56-/m0/s1 |
| InChIKey | UVYVLBIGDKGWPX-IZJTUTFASA-N |
| Mol Weight | 1229.3 g/mol |
| Molecular Formula | C56H92O29 |
| Exact Mass | 1228.572427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4C2PyZZGhH |
|---|---|
| Name | DIGITONIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O29 |
| InChI | InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21-,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-,52-,53-,54+,55-,56-/m0/s1 |
| InChIKey | UVYVLBIGDKGWPX-IZJTUTFASA-N |
| Literature Reference Author | P.MUHR,W.LIKUSSAR,M.SCHUBERT-ZSILAVECZ |
| Literature Reference Citation | MAGN.RES.CHEM.,34,137(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199602)34:2<137::aid-omr841>3.3.co;2-h |
| Molecular Weight | 1229.329 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP2293 |