| SpectraBase Compound ID | 6stPVryprAP |
|---|---|
| InChI | InChI=1S/C31H52O6/c1-18(2)30(37,17-32)12-9-19(3)20-10-11-27(5)21-7-8-22-28(6,25(35)36)23(33)15-24(34)31(22)16-29(21,31)14-13-26(20,27)4/h18-24,32-34,37H,7-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22?,23+,24+,26-,27+,28+,29+,30?,31-/m1/s1 |
| InChIKey | WXPOFBIHDUXUII-PVBXFXNMSA-N |
| Mol Weight | 520.8 g/mol |
| Molecular Formula | C31H52O6 |
| Exact Mass | 520.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AfDhRA1dFjU |
|---|---|
| Name | CYClOTRICUSPIDOGENIN-A;1-ALPHA,3-BETA,24-XI,31-TETRAHYDROXY-24-XI-METHYL-CYClOARTAN-28-OIC-ACID |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O6 |
| InChI | InChI=1S/C31H52O6/c1-18(2)30(37,17-32)12-9-19(3)20-10-11-27(5)21-7-8-22-28(6,25(35)36)23(33)15-24(34)31(22)16-29(21,31)14-13-26(20,27)4/h18-24,32-34,37H,7-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22?,23+,24+,26-,27+,28+,29+,30?,31-/m1/s1 |
| InChIKey | WXPOFBIHDUXUII-PVBXFXNMSA-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 | 520.750 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC483 |