| SpectraBase Compound ID | qHVU7mapLY |
|---|---|
| InChI | InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3/t21-,22-,23-,24-,25+,26?,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,38-,39+,40+,41+,42?,43-/m1/s1 |
| InChIKey | NUJWBDOJBSCJEG-HRTAGIAMSA-N |
| Mol Weight | 845.0 g/mol |
| Molecular Formula | C43H72O16 |
| Exact Mass | 844.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XRkOONpYFf |
|---|---|
| Name | CYClOTRICUSPIDOSIDE-A;28,31-DI-O-BETA-D-GLUCOPYRANOSIDE-1-ALPHA,3-BETA,24-XI,31-TETRAHYDROXY-24-XI-METHYL-CYClOARTAN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H72O16 |
| InChI | InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3/t21-,22-,23-,24-,25+,26?,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,38-,39+,40+,41+,42?,43-/m1/s1 |
| InChIKey | NUJWBDOJBSCJEG-HRTAGIAMSA-N |
| Literature Reference Author | R.KASAI,A.SASAKI,T.HASHIMOTO,T.KANEKO,K.OHTANI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,51,803(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00078-3 |
| Molecular Weight | 845.035 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC482 |