| SpectraBase Compound ID | 93No8JS1gR1 |
|---|---|
| InChI | InChI=1S/C54H90O21/c1-23(19-55)9-10-28(57)24(2)27-13-15-52(8)32-12-11-31-50(5,6)33(14-16-53(31)22-54(32,53)18-17-51(27,52)7)73-47-43(67)40(64)44(26(4)70-47)74-49-45(75-48-42(66)37(61)34(58)25(3)69-48)39(63)36(60)30(72-49)21-68-46-41(65)38(62)35(59)29(20-56)71-46/h9,24-49,55-67H,10-22H2,1-8H3/b23-9+/t24-,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+,51+,52-,53+,54-/m0/s1 |
| InChIKey | ZVQYCHMNZFFTTA-YDCZKNORSA-N |
| Mol Weight | 1075.3 g/mol |
| Molecular Formula | C54H90O21 |
| Exact Mass | 1074.59746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMrP0WQBIqA |
|---|---|
| Name | THALICTOSIDE-C |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90O21 |
| InChI | InChI=1S/C54H90O21/c1-23(19-55)9-10-28(57)24(2)27-13-15-52(8)32-12-11-31-50(5,6)33(14-16-53(31)22-54(32,53)18-17-51(27,52)7)73-47-43(67)40(64)44(26(4)70-47)74-49-45(75-48-42(66)37(61)34(58)25(3)69-48)39(63)36(60)30(72-49)21-68-46-41(65)38(62)35(59)29(20-56)71-46/h9,24-49,55-67H,10-22H2,1-8H3/b23-9+/t24-,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+,51+,52-,53+,54-/m0/s1 |
| InChIKey | ZVQYCHMNZFFTTA-YDCZKNORSA-N |
| Literature Reference Author | H.YOSHIMITSU,M.NISHIDA,Z.Z.QIAN,Z.H.LEI,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,828(2000) |
| Literature Reference DOI | 10.1248/cpb.48.828 |
| Molecular Weight | 1075.296 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5165 |