| SpectraBase Compound ID | CliEjYL9o4A |
|---|---|
| InChI | InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7-,15-8- |
| InChIKey | QWPXBEHQFHACTK-UPNNYWQPSA-N |
| Mol Weight | 565.1 g/mol |
| Molecular Formula | C28H37ClN2O8 |
| Exact Mass | 564.223844 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 96OHzr8bThH |
|---|---|
| Name | Maytansinol |
| CAS Registry Number | 57103-68-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H37ClN2O8 |
| InChI | InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7-,15-8- |
| InChIKey | QWPXBEHQFHACTK-UPNNYWQPSA-N |
| Molecular Weight | 565.063 g/mol |
| SMILES | OC12CC(C(C3C(C)(C(CC(N(c4cc(C\C(=C/C=C\C2OC)C)cc(OC)c4Cl)C)=O)O)O3)C)OC(N1)=O |
| SPLASH | splash10-08g0-2290100000-4022a134fb41d61b0f1d |
| Source of Spectrum | W5-1989-38093-27443 |
| Wiley ID | 1407105 |