| SpectraBase Compound ID | 5NrlwHbWGJu |
|---|---|
| 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-/m1/s1 |
| InChIKey | HVBPBTCNPNRUIL-HCCZPEPLSA-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 | 2YAuC8uXNyL |
|---|---|
| Name | Gymnastatin A acetate |
| 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-/m1/s1 |
| InChIKey | HVBPBTCNPNRUIL-HCCZPEPLSA-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)[H])C)=O |
| SPLASH | splash10-0a6s-4590000000-6a3b4fa9c3765144e004 |
| Source of Spectrum | KC-0-3595-6 |
| Synonyms | (3S)-7,9-dichloro-3-{[(2E,4E,6R)-4,6-dimethyl-2,4-dodecadienoyl]amino}-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-2-yl acetate Acetic acid (2S,3S)-7,9-dichloro-3-((2E,4E)-(R)-4,6-dimethyl-dodeca-2,4-dienoylamino)-8-oxo-1-oxa-spiro[4.5]deca-6,9-dien-2-yl ester Acetic acid [(2S,3S)-7,9-dichloro-3-[[(2E,4E,6R)-4,6-dimethyl-1-oxododeca-2,4-dienyl]amino]-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-2-yl] ester [(2S,3S)-7,9-dichloro-3-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-2-yl] acetate [(2S,3S)-7,9-bis(chloranyl)-3-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-8-oxidanylidene-1-oxaspiro[4.5]deca-6,9-dien-2-yl] ethanoate |
| Wiley ID | 827011 |