| SpectraBase Compound ID | MtHYWnte0L |
|---|---|
| InChI | InChI=1S/C35H43ClN2O8/c1-6-20(2)30-35(42)44-27(22(4)31-32(45-31)24-11-8-7-9-12-24)13-10-14-29(39)38-26(33(40)37-19-21(3)34(41)46-30)18-23-15-16-28(43-5)25(36)17-23/h7-12,14-17,20-22,26-27,30-32H,6,13,18-19H2,1-5H3,(H,37,40)(H,38,39)/b14-10+/t20-,21+,22+,26+,27-,30-,31+,32-/m0/s1 |
| InChIKey | LFFZZUVEDYUSEH-KCPKQICJSA-N |
| Mol Weight | 655.2 g/mol |
| Molecular Formula | C35H43ClN2O8 |
| Exact Mass | 654.270794 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7lOp0yhZ0p6 |
|---|---|
| Name | Cryptophycin-54 |
| Alternate Name(s) | (3S,6R,10R,16S)-10-(3-chloro-4-methoxybenzyl)-6-methyl-3-[(1S)-1-methylpropyl]-16-{(1R)-1-[(2R,3S)-3-phenyloxiranyl]ethyl}-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 | C35H43ClN2O8 |
| InChI | InChI=1S/C35H43ClN2O8/c1-6-20(2)30-35(42)44-27(22(4)31-32(45-31)24-11-8-7-9-12-24)13-10-14-29(39)38-26(33(40)37-19-21(3)34(41)46-30)18-23-15-16-28(43-5)25(36)17-23/h7-12,14-17,20-22,26-27,30-32H,6,13,18-19H2,1-5H3,(H,37,40)(H,38,39)/b14-10+/t20-,21+,22+,26+,27-,30-,31+,32-/m0/s1 |
| InChIKey | LFFZZUVEDYUSEH-KCPKQICJSA-N |
| Molecular Weight | 655.188 g/mol |
| SMILES | N1C[C@](C(O[C@](C(O[C@@](C\C=C\C(N[C@@](C1=O)(Cc1cc(Cl)c(cc1)OC)[H])=O)([C@]([C@]1(O[C@]1(c1ccccc1)[H])[H])(C)[H])[H])=O)([C@](CC)(C)[H])[H])=O)(C)[H] |
| SPLASH | splash10-0006-8930103000-508c961eb40c7b8b12ba |
| Source of Spectrum | C-117-12045-25 |
| Wiley ID | 759264 |