| SpectraBase Compound ID | C8gJub9lpsW |
|---|---|
| InChI | InChI=1S/C60H98O28/c1-24-34(65)38(69)43(74)50(80-24)86-47-29(21-63)83-49(46(77)42(47)73)79-22-30-37(68)40(71)45(76)52(84-30)88-54(78)60-16-14-55(2,3)18-26(60)25-8-9-32-56(4)12-11-33(57(5,23-64)31(56)10-13-59(32,7)58(25,6)15-17-60)85-53-48(41(72)36(67)28(20-62)82-53)87-51-44(75)39(70)35(66)27(19-61)81-51/h8,24,26-53,61-77H,9-23H2,1-7H3/t24-,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?,56-,57+,58+,59+,60?/m0/s1 |
| InChIKey | KGOWBUVYTNXZLW-WZTVHUHPSA-N |
| Mol Weight | 1267.4 g/mol |
| Molecular Formula | C60H98O28 |
| Exact Mass | 1266.624462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bk4NYuW2Y9s |
|---|---|
| Name | TANGUTICOSIDE_B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H98O28 |
| InChI | InChI=1S/C60H98O28/c1-24-34(65)38(69)43(74)50(80-24)86-47-29(21-63)83-49(46(77)42(47)73)79-22-30-37(68)40(71)45(76)52(84-30)88-54(78)60-16-14-55(2,3)18-26(60)25-8-9-32-56(4)12-11-33(57(5,23-64)31(56)10-13-59(32,7)58(25,6)15-17-60)85-53-48(41(72)36(67)28(20-62)82-53)87-51-44(75)39(70)35(66)27(19-61)81-51/h8,24,26-53,61-77H,9-23H2,1-7H3/t24-,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?,56-,57+,58+,59+,60?/m0/s1 |
| InChIKey | KGOWBUVYTNXZLW-WZTVHUHPSA-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 | 1267.421 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP1582 |