| SpectraBase Compound ID | 22vBRHswHqb |
|---|---|
| InChI | InChI=1S/C35H43ClN2O7/c1-6-22(2)32-35(42)44-29(23(3)15-16-25-11-8-7-9-12-25)13-10-14-31(39)38-28(33(40)37-21-24(4)34(41)45-32)20-26-17-18-30(43-5)27(36)19-26/h7-12,14-19,22-24,28-29,32H,6,13,20-21H2,1-5H3,(H,37,40)(H,38,39)/b14-10+,16-15+/t22-,23?,24+,28+,29-,32-/m0/s1 |
| InChIKey | CCZRCVCMUDRTLT-WZXKESSESA-N |
| Mol Weight | 639.2 g/mol |
| Molecular Formula | C35H43ClN2O7 |
| Exact Mass | 638.275879 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CWLRxRoQRpl |
|---|---|
| Name | Cryptophycin-18 |
| Alternate Name(s) | (3S,6R,10R,16S)-10-(3-chloro-4-methoxybenzyl)-6-methyl-16-[(2E)-1-methyl-3-phenyl-2-propenyl]-3-[(1S)-1-methylpropyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H43ClN2O7 |
| InChI | InChI=1S/C35H43ClN2O7/c1-6-22(2)32-35(42)44-29(23(3)15-16-25-11-8-7-9-12-25)13-10-14-31(39)38-28(33(40)37-21-24(4)34(41)45-32)20-26-17-18-30(43-5)27(36)19-26/h7-12,14-19,22-24,28-29,32H,6,13,20-21H2,1-5H3,(H,37,40)(H,38,39)/b14-10+,16-15+/t22-,23?,24+,28+,29-,32-/m0/s1 |
| InChIKey | CCZRCVCMUDRTLT-WZXKESSESA-N |
| Molecular Weight | 639.189 g/mol |
| SMILES | N1C[C@](C(O[C@](C(O[C@@](C\C=C\C(=O)N[C@@](C1=O)(Cc1cc(Cl)c(cc1)OC)[H])(C(\C=C\c1ccccc1)C)[H])=O)([C@](CC)(C)[H])[H])=O)(C)[H] |
| SPLASH | splash10-01t9-0090500000-575eebf3aef40a375730 |
| Source of Spectrum | C-117-12044-21 |
| Wiley ID | 759268 |