| SpectraBase Compound ID | 71o42j7uKVM |
|---|---|
| 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-BGDGLMOHSA-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 | IIU4gfBAbPp |
|---|---|
| Name | Cryptophycin-101 |
| Alternate Name(s) | (3S,10R,16S)-10-(3-chloro-4-methoxybenzyl)-6-methyl-3-[(1S)-1-methylpropyl]-16-{(1S)-1-[(2S,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-BGDGLMOHSA-N |
| Molecular Weight | 655.188 g/mol |
| SMILES | N1CC(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 |
| SPLASH | splash10-052g-6910101000-56e0419a89e24adff2a0 |
| Source of Spectrum | C-117-12048-39 |
| Wiley ID | 759262 |