| SpectraBase Compound ID | DdGOBXDrXKK |
|---|---|
| InChI | InChI=1S/C31H48N2O10/c1-9-33-13-28(14-38-5)19(42-16(3)35)10-20(39-6)31-18-11-30(37)21(40-7)12-29(32-15(2)34,22(18)27(30)43-17(4)36)23(26(31)33)24(41-8)25(28)31/h18-27,37H,9-14H2,1-8H3,(H,32,34)/t18-,19-,20+,21+,22-,23?,24+,25-,26?,27-,28+,29-,30+,31?/m1/s1 |
| InChIKey | YADGAFXNBLKFKG-WUSBXXDSSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C31H48N2O10 |
| Exact Mass | 608.330896 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5P0TmZmChbw |
|---|---|
| Name | 8,14,21-Tricetylhemsleyatine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48N2O10 |
| InChI | InChI=1S/C31H48N2O10/c1-9-33-13-28(14-38-5)19(42-16(3)35)10-20(39-6)31-18-11-30(37)21(40-7)12-29(32-15(2)34,22(18)27(30)43-17(4)36)23(26(31)33)24(41-8)25(28)31/h18-27,37H,9-14H2,1-8H3,(H,32,34)/t18-,19-,20+,21+,22-,23?,24+,25-,26?,27-,28+,29-,30+,31?/m1/s1 |
| InChIKey | YADGAFXNBLKFKG-WUSBXXDSSA-N |
| Molecular Weight | 608.729 g/mol |
| SMILES | O[C@@]12[C@@]([C@]3([C@](C45C6C([C@]3(C[C@@]2(OC)[H])NC(=O)C)[C@@]([C@@]5([C@]([C@](OC(=O)C)(C[C@@]4(OC)[H])[H])(COC)CN6CC)[H])(OC)[H])(C1)[H])[H])(OC(=O)C)[H] |
| SPLASH | splash10-004i-1000090000-f64a3dee989738e41b79 |
| Source of Spectrum | E2-51-594-2 |
| Wiley ID | 1556094 |