| SpectraBase Compound ID | KwTsulbT2Ip |
|---|---|
| InChI | InChI=1S/C29H45NO5S/c1-18-12-10-8-9-11-13-24(19(2)15-23-17-36-22(5)30-23)35-26(32)16-25(31)29(6,7)28(34)21(4)27(33)20(3)14-18/h9,11,15,17-18,20-21,24-25,27,31,33H,8,10,12-14,16H2,1-7H3/b11-9-,19-15+/t18?,20-,21?,24-,25-,27?/m0/s1 |
| InChIKey | ZRXGTLZTTTXSFQ-NDWPJBTKSA-N |
| Mol Weight | 519.7 g/mol |
| Molecular Formula | C29H45NO5S |
| Exact Mass | 519.301845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4MAFYNjzK5z |
|---|---|
| Name | Epothilone i-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H45NO5S |
| InChI | InChI=1S/C29H45NO5S/c1-18-12-10-8-9-11-13-24(19(2)15-23-17-36-22(5)30-23)35-26(32)16-25(31)29(6,7)28(34)21(4)27(33)20(3)14-18/h9,11,15,17-18,20-21,24-25,27,31,33H,8,10,12-14,16H2,1-7H3/b11-9-,19-15+/t18?,20-,21?,24-,25-,27?/m0/s1 |
| InChIKey | ZRXGTLZTTTXSFQ-NDWPJBTKSA-N |
| Molecular Weight | 519.741 g/mol |
| SMILES | OC1C(C(C([C@](CC(O[C@@](C\C=C/CCCC(C[C@@]1(C)[H])C)(\C(=C\c1nc(C)sc1)C)[H])=O)(O)[H])(C)C)=O)C |
| SPLASH | splash10-014i-2912010000-c53b6e56a6dcbd249dad |
| Source of Spectrum | G4-64-855-31 |
| Wiley ID | 1609157 |