![Evonine, O1,O2,O9,O15-tetradeacetyl-8-deoxo-8-hydroxy-, 9-[2-(acetyloxy)-2-methylpropanoate], (8.alpha.)-](/api/spectrum/AF9qicBYpDf/structure.png?h=300&w=458 "Evonine, O1,O2,O9,O15-tetradeacetyl-8-deoxo-8-hydroxy-, 9-[2-(acetyloxy)-2-methylpropanoate], (8.alpha.)-")
| SpectraBase Compound ID | LJ3hwJ3QG9L |
|---|---|
| InChI | InChI=1S/C34H45NO16/c1-14-15(2)27(42)48-25-22(40)23(41)33(12-36)26(49-29(44)30(5,6)50-17(4)38)21(39)19-24(47-16(3)37)34(33,32(25,8)45)51-31(19,7)13-46-28(43)18-10-9-11-35-20(14)18/h9-11,14-15,19,21-26,36,39-41,45H,12-13H2,1-8H3/t14?,15?,19-,21+,22?,23?,24?,25+,26-,31?,32?,33+,34+/m0/s1 |
| InChIKey | ARONWVCQDWTRRG-SXJBLSSWSA-N |
| Mol Weight | 723.7 g/mol |
| Molecular Formula | C34H45NO16 |
| Exact Mass | 723.273834 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AF9qicBYpDf |
|---|---|
| Name | Evonine, O1,O2,O9,O15-tetradeacetyl-8-deoxo-8-hydroxy-, 9-[2-(acetyloxy)-2-methylpropanoate], (8.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 723.273834357 u |
| Formula | C34H45NO16 |
| InChI | InChI=1S/C34H45NO16/c1-14-15(2)27(42)48-25-22(40)23(41)33(12-36)26(49-29(44)30(5,6)50-17(4)38)21(39)19-24(47-16(3)37)34(33,32(25,8)45)51-31(19,7)13-46-28(43)18-10-9-11-35-20(14)18/h9-11,14-15,19,21-26,36,39-41,45H,12-13H2,1-8H3/t14?,15?,19-,21+,22?,23?,24?,25+,26-,31?,32?,33+,34+/m0/s1 |
| InChIKey | ARONWVCQDWTRRG-SXJBLSSWSA-N |
| Molecular Weight | 723.725 g/mol |
| SMILES | [C@@]123[C@]4([C@@](OC(C(OC(=O)C)(C)C)=O)([C@@]([C@@](C3OC(=O)C)(C(O1)(COC(C=1C(=NC=CC1)C(C(C(O[C@@](C2(O)C)(C(O)C4O)[H])=O)C)C)=O)C)[H])(O)[H])[H])CO |