| SpectraBase Compound ID | ChxsPvm4pYF |
|---|---|
| InChI | InChI=1S/C29H39ClN2O7/c1-17-9-8-10-25(37-6)29(38-7)16-24(39-28(35)31-29)19(3)12-18(2)22(33)15-26(34)32(4)21-13-20(11-17)14-23(36-5)27(21)30/h8-10,12-14,19,22,24-25,33H,11,15-16H2,1-7H3,(H,31,35)/b10-8+,17-9+,18-12+/t19?,22?,24-,25?,29+/m0/s1 |
| InChIKey | YXFUMAMSKPPTCV-HRMGXNJMSA-N |
| Mol Weight | 563.1 g/mol |
| Molecular Formula | C29H39ClN2O7 |
| Exact Mass | 562.244579 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HjPSL3t8bda |
|---|---|
| Name | 9-O-Methyl-4,5-deoxymaytansinol |
| CAS Registry Number | 75349-70-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H39ClN2O7 |
| InChI | InChI=1S/C29H39ClN2O7/c1-17-9-8-10-25(37-6)29(38-7)16-24(39-28(35)31-29)19(3)12-18(2)22(33)15-26(34)32(4)21-13-20(11-17)14-23(36-5)27(21)30/h8-10,12-14,19,22,24-25,33H,11,15-16H2,1-7H3,(H,31,35)/b10-8+,17-9+,18-12+/t19?,22?,24-,25?,29+/m0/s1 |
| InChIKey | YXFUMAMSKPPTCV-HRMGXNJMSA-N |
| Molecular Weight | 563.091 g/mol |
| SMILES | OC1\C(=C\C([C@@]2(C[C@@](C(\C=C\C=C\(Cc3cc(N(C(C1)=O)C)c(c(c3)OC)Cl)C)OC)(NC(O2)=O)OC)[H])C)C |
| SPLASH | splash10-000i-0043900000-99341690eb7732e6904b |
| Source of Spectrum | W5-1989-38096-27440 |
| Wiley ID | 1406899 |