| SpectraBase Compound ID | EpcRxfkWtsN |
|---|---|
| InChI | InChI=1S/C29H39ClN2O8/c1-16-9-8-10-23(37-6)29(38-7)15-21(39-27(35)31-29)17(2)26-28(3,40-26)22(33)14-24(34)32(4)19-12-18(11-16)13-20(36-5)25(19)30/h8-10,12-13,17,21-23,26,33H,11,14-15H2,1-7H3,(H,31,35)/b10-8+,16-9+/t17?,21-,22?,23?,26?,28?,29-/m1/s1 |
| InChIKey | QTOAMOSNJIWWNU-WAADKUDKSA-N |
| Mol Weight | 579.1 g/mol |
| Molecular Formula | C29H39ClN2O8 |
| Exact Mass | 578.239494 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2NewBjfqQF7 |
|---|---|
| Name | 9-O-Methylmaytansinol |
| CAS Registry Number | 75340-68-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H39ClN2O8 |
| InChI | InChI=1S/C29H39ClN2O8/c1-16-9-8-10-23(37-6)29(38-7)15-21(39-27(35)31-29)17(2)26-28(3,40-26)22(33)14-24(34)32(4)19-12-18(11-16)13-20(36-5)25(19)30/h8-10,12-13,17,21-23,26,33H,11,14-15H2,1-7H3,(H,31,35)/b10-8+,16-9+/t17?,21-,22?,23?,26?,28?,29-/m1/s1 |
| InChIKey | QTOAMOSNJIWWNU-WAADKUDKSA-N |
| Molecular Weight | 579.090 g/mol |
| SMILES | OC1C2(OC2C([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 | splash10-01p9-0690100000-32f8489bd8d046759d4d |
| Source of Spectrum | W5-1989-38094-27442 |
| Wiley ID | 1408337 |