| SpectraBase Compound ID | 8lRxxzc8NAJ |
|---|---|
| InChI | InChI=1S/C34H41ClN2O8/c1-19(2)15-28-34(42)43-27(21(4)30-31(45-30)23-9-6-5-7-10-23)11-8-12-29(39)37-25(17-22-13-14-26(38)24(35)16-22)32(40)36-18-20(3)33(41)44-28/h5-10,12-14,16,19-21,25,27-28,30-31,38H,11,15,17-18H2,1-4H3,(H,36,40)(H,37,39)/b12-8+/t20-,21-,25-,27+,28+,30-,31+/m1/s1 |
| InChIKey | JPWBUGOVDPESSU-TZWGJEDKSA-N |
| Mol Weight | 641.2 g/mol |
| Molecular Formula | C34H41ClN2O8 |
| Exact Mass | 640.255144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G0bDApkEDlq |
|---|---|
| Name | Cryptophycin-16 |
| Alternate Name(s) | (3S,6R,10R,16S)-10-(3-chloro-4-hydroxybenzyl)-3-isobutyl-6-methyl-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 | C34H41ClN2O8 |
| InChI | InChI=1S/C34H41ClN2O8/c1-19(2)15-28-34(42)43-27(21(4)30-31(45-30)23-9-6-5-7-10-23)11-8-12-29(39)37-25(17-22-13-14-26(38)24(35)16-22)32(40)36-18-20(3)33(41)44-28/h5-10,12-14,16,19-21,25,27-28,30-31,38H,11,15,17-18H2,1-4H3,(H,36,40)(H,37,39)/b12-8+/t20-,21-,25-,27+,28+,30-,31+/m1/s1 |
| InChIKey | JPWBUGOVDPESSU-TZWGJEDKSA-N |
| Molecular Weight | 641.161 g/mol |
| SMILES | N1C[C@](C(O[C@](C(O[C@@](C\C=C\C(N[C@](Cc2ccc(c(c2)Cl)O)(C1=O)[H])=O)([C@]([C@]1(O[C@]1(c1ccccc1)[H])[H])(C)[H])[H])=O)(CC(C)C)[H])=O)(C)[H] |
| SPLASH | splash10-0036-0692007000-0a54bfec85881d3725db |
| Source of Spectrum | C-117-12042-12 |
| Wiley ID | 759277 |