| SpectraBase Compound ID | 9L8aKWfug0a |
|---|---|
| InChI | InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-24(32-23(18)31-4)13-17(25)21(29)20(26)22(24)30/h10-13,15,18,20,22-23,30H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18+,20+,22-,23-,24+/m1/s1 |
| InChIKey | HCHKYWWJMUJBHB-NBSJDVKISA-N |
| Mol Weight | 488.5 g/mol |
| Molecular Formula | C24H35Cl2NO5 |
| Exact Mass | 487.189229 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ct8xJJewVW |
|---|---|
| Name | Gymnastatin B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H35Cl2NO5 |
| InChI | InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-24(32-23(18)31-4)13-17(25)21(29)20(26)22(24)30/h10-13,15,18,20,22-23,30H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18+,20+,22-,23-,24+/m1/s1 |
| InChIKey | HCHKYWWJMUJBHB-NBSJDVKISA-N |
| Molecular Weight | 488.452 g/mol |
| SMILES | O[C@@]1([C@](C(C(=C[C@]11C[C@@]([C@@](O1)(OC)[H])(NC(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)=O)[H])Cl)=O)(Cl)[H])[H] |
| SPLASH | splash10-056r-2690000000-b2131e9b2253748f6693 |
| Source of Spectrum | KC-0-3594-2 |
| Synonyms | (2E,4E,6R)-N-[(2R,3S,5R,9R,10S)-7,9-dichloro-10-hydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]dec-6-en-3-yl]-4,6-dimethyl-2,4-dodecadienamide (2E,4E,6R)-N-[(2R,3S,5R,6S,7R)-7,9-dichloro-6-hydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyldodeca-2,4-dienamide (2E,4E,6R)-N-[(2R,3S,5R,6S,7R)-7,9-dichloro-6-hydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(2R,3S,5R,6S,7R)-7,9-bis(chloranyl)-2-methoxy-6-oxidanyl-8-oxidanylidene-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide |
| Wiley ID | 827015 |