| SpectraBase Compound ID | JgUyt34VxIr |
|---|---|
| InChI | InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,30?,31+,34-,35+,37+/m1/s1 |
| InChIKey | MIJTXBNFQDJTPL-RHYQDNOZSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C37H46O10 |
| Exact Mass | 650.309098 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DK3MJlZWLWG |
|---|---|
| Name | 2-Desacetyltaxinine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H46O10 |
| InChI | InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,30?,31+,34-,35+,37+/m1/s1 |
| InChIKey | MIJTXBNFQDJTPL-RHYQDNOZSA-N |
| Molecular Weight | 650.765 g/mol |
| SMILES | [C@]12([C@@](C(=C)C(C[C@@]2(OC(=O)C)[H])OC(\C=C\c2ccccc2)=O)(C[C@@]2(C[C@](C(=C([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])C2(C)C)C)(OC(=O)C)[H])[H])[H])C |
| SPLASH | splash10-001i-0910000000-95928a7f3702c70d08a6 |
| Source of Spectrum | Y1-35-753-1 |
| Wiley ID | 1526850 |