| SpectraBase Compound ID | 8JxfcnilMum |
|---|---|
| InChI | InChI=1S/C54H88O23/c1-23-32(58)35(61)39(65)45(71-23)76-43-27(20-56)73-44(42(68)38(43)64)70-21-28-34(60)37(63)41(67)47(74-28)77-48(69)54-16-14-49(2,3)18-25(54)24-8-9-30-50(4)12-11-31(75-46-40(66)36(62)33(59)26(19-55)72-46)51(5,22-57)29(50)10-13-53(30,7)52(24,6)15-17-54/h8,23,25-47,55-68H,9-22H2,1-7H3/t23-,25?,26+,27+,28+,29?,30?,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44?,45?,46?,47?,50-,51+,52+,53+,54?/m0/s1 |
| InChIKey | ILKZUGRHLIZRQK-AEMDDQSSSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C54H88O23 |
| Exact Mass | 1104.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cwwzCzIeiW |
|---|---|
| Name | TANGUTICOSIDE_A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O23 |
| InChI | InChI=1S/C54H88O23/c1-23-32(58)35(61)39(65)45(71-23)76-43-27(20-56)73-44(42(68)38(43)64)70-21-28-34(60)37(63)41(67)47(74-28)77-48(69)54-16-14-49(2,3)18-25(54)24-8-9-30-50(4)12-11-31(75-46-40(66)36(62)33(59)26(19-55)72-46)51(5,22-57)29(50)10-13-53(30,7)52(24,6)15-17-54/h8,23,25-47,55-68H,9-22H2,1-7H3/t23-,25?,26+,27+,28+,29?,30?,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44?,45?,46?,47?,50-,51+,52+,53+,54?/m0/s1 |
| InChIKey | ILKZUGRHLIZRQK-AEMDDQSSSA-N |
| Literature Reference Author | H.M.ZHONG,C.X.CHEN,X.TIAN,Y.X.CHUI,Y.Z.CHEN |
| Literature Reference Citation | PLANTA.MED.,67,484(2001) |
| Literature Reference DOI | 10.1055/s-2001-15803 |
| Molecular Weight | 1105.279 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP1581 |