| SpectraBase Compound ID | 4gwmBcRZ29s |
|---|---|
| InChI | InChI=1S/C25H33Cl2NO5/c1-5-6-7-8-9-16(2)12-17(3)10-11-22(30)28-21-15-25(33-24(21)32-18(4)29)13-19(26)23(31)20(27)14-25/h10-14,16,21,24H,5-9,15H2,1-4H3,(H,28,30)/b11-10+,17-12+/t16?,21-,24-/m0/s1 |
| InChIKey | HVBPBTCNPNRUIL-ZEZHDIJJSA-N |
| Mol Weight | 498.4 g/mol |
| Molecular Formula | C25H33Cl2NO5 |
| Exact Mass | 497.173579 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8qYhO97cnOo |
|---|---|
| Name | Gymnastatin A acetate isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H33Cl2NO5 |
| InChI | InChI=1S/C25H33Cl2NO5/c1-5-6-7-8-9-16(2)12-17(3)10-11-22(30)28-21-15-25(33-24(21)32-18(4)29)13-19(26)23(31)20(27)14-25/h10-14,16,21,24H,5-9,15H2,1-4H3,(H,28,30)/b11-10+,17-12+/t16?,21-,24-/m0/s1 |
| InChIKey | HVBPBTCNPNRUIL-ZEZHDIJJSA-N |
| Molecular Weight | 498.447 g/mol |
| SMILES | N([C@]1(CC2(C=C(Cl)C(C(=C2)Cl)=O)O[C@@]1(OC(=O)C)[H])[H])C(\C=C\C(=C\C(CCCCCC)C)C)=O |
| SPLASH | splash10-054k-9540000000-d54406e096b2c10dcad3 |
| Source of Spectrum | KC-0-3595-6 |
| Wiley ID | 827010 |