| SpectraBase Compound ID | 31t5Vv8vDAB |
|---|---|
| InChI | InChI=1S/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32-,33+,34-,37+,38+,41-,42-/m0/s1 |
| InChIKey | MWIQLLBFLJOMOS-LHFSSETGSA-N |
| Mol Weight | 728.8 g/mol |
| Molecular Formula | C42H48O11 |
| Exact Mass | 728.319662 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IXNZYTtfx1H |
|---|---|
| Name | Taxuapine A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H48O11 |
| InChI | InChI=1S/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32-,33+,34-,37+,38+,41-,42-/m0/s1 |
| InChIKey | MWIQLLBFLJOMOS-LHFSSETGSA-N |
| Molecular Weight | 728.835 g/mol |
| SMILES | OC([C@]12C([C@]([C@@](OC(=O)C)([C@]3([C@@](C2)(C([C@](C[C@@]3(OC(=O)C)[H])(OC(\C=C\c2ccccc2)=O)[H])=C)[H])C)[H])(OC(=O)c2ccccc2)[H])=C(C)[C@@](C1)(OC(=O)C)[H])(C)C |
| SPLASH | splash10-053r-0930100000-40dc3b21d3e7750a8ced |
| Source of Spectrum | F-50-7413-1 |
| Wiley ID | 1415755 |