| SpectraBase Compound ID | 9e7JeW8Rie4 |
|---|---|
| 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+ |
| InChIKey | QTOAMOSNJIWWNU-VYWHLGQJSA-N |
| Mol Weight | 579.1 g/mol |
| Molecular Formula | C29H39ClN2O8 |
| Exact Mass | 578.239494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6emM7fjkLwb |
|---|---|
| Name | 9-o-Methylmaytansinol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 578.239493916 u |
| 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+ |
| InChIKey | QTOAMOSNJIWWNU-VYWHLGQJSA-N |
| Molecular Weight | 579.090 g/mol |
| SMILES | COC1\C=C\C=C/(C)CC2=CC(N(C)C(=O)CC(O)C3(C)OC3C(C)[C@]3(C[C@@]1(NC(=O)O3)OC)[H])=C(Cl)C(OC)=C2 |