| SpectraBase Compound ID | 6gMoP44xweI |
|---|---|
| InChI | InChI=1S/C35H45ClN2O8/c1-21(2)15-31-35(43)45-26(18-29(39)22(3)11-12-24-9-7-6-8-10-24)19-32(40)38-28(33(41)37-20-23(4)34(42)46-31)17-25-13-14-30(44-5)27(36)16-25/h6-14,16,21-23,26,28-29,31,39H,15,17-20H2,1-5H3,(H,37,41)(H,38,40)/b12-11+/t22-,23-,26+,28-,29+,31+/m1/s1 |
| InChIKey | JVTODUXHSHCQOJ-PAAQLZDGSA-N |
| Mol Weight | 657.2 g/mol |
| Molecular Formula | C35H45ClN2O8 |
| Exact Mass | 656.286444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zbZBq3S7cm |
|---|---|
| Name | Cryptophycin-26 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 656.286444109 u |
| Formula | C35H45ClN2O8 |
| InChI | InChI=1S/C35H45ClN2O8/c1-21(2)15-31-35(43)45-26(18-29(39)22(3)11-12-24-9-7-6-8-10-24)19-32(40)38-28(33(41)37-20-23(4)34(42)46-31)17-25-13-14-30(44-5)27(36)16-25/h6-14,16,21-23,26,28-29,31,39H,15,17-20H2,1-5H3,(H,37,41)(H,38,40)/b12-11+/t22-,23-,26+,28-,29+,31+/m1/s1 |
| InChIKey | JVTODUXHSHCQOJ-PAAQLZDGSA-N |
| Molecular Weight | 657.204 g/mol |
| SMILES | C1(O[C@](C(O[C@](CC(N[C@@](C(NC[C@]1(C)[H])=O)(CC1=CC(Cl)=C(C=C1)OC)[H])=O)(C[C@@]([C@@](\C=C\C=1C=CC=CC1)(C)[H])(O)[H])[H])=O)(CC(C)C)[H])=O |