| SpectraBase Compound ID | wK2PKnVllk |
|---|---|
| InChI | InChI=1S/C23H34ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,19-22,27-28H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14-,17+,19+,20+,21+,22-,23+/m1/s1 |
| InChIKey | XKJXLFLLICSWJK-BEIBJWOKSA-N |
| Mol Weight | 440.0 g/mol |
| Molecular Formula | C23H34ClNO5 |
| Exact Mass | 439.212551 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 140riG4rtw |
|---|---|
| Name | Gymnastatin E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34ClNO5 |
| InChI | InChI=1S/C23H34ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,19-22,27-28H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14-,17+,19+,20+,21+,22-,23+/m1/s1 |
| InChIKey | XKJXLFLLICSWJK-BEIBJWOKSA-N |
| Molecular Weight | 439.980 g/mol |
| SMILES | O[C@@]1(O[C@@]2(C[C@@]1(NC(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)=O)[H])[C@@]1([C@@](O1)([C@](C(=C2)Cl)(O)[H])[H])[H])[H] |
| SPLASH | splash10-0a6s-8591000000-607d6b400d84f467ecf7 |
| Source of Spectrum | KC-0-3594-5 |
| Synonyms | (2E,4E,6R)-N-[(1S,2R,4'S,5R,6S)-4-chloro-5,5'-dihydroxy-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-3-en-4'-yl]-4,6-dimethyldodeca-2,4-dienamide (2E,4E,6R)-N-[(1S,2R,2'R,3'S,5R,6S)-3-chloro-2,2'-dihydroxy-3'-spiro[7-oxabicyclo[4.1.0]hept-3-ene-5,5'-oxolane]yl]-4,6-dimethyldodeca-2,4-dienamide (2E,4E,6R)-N-[(1S,2R,2'R,3'S,5R,6S)-3-chloro-2,2'-dihydroxyspiro[7-oxabicyclo[4.1.0]hept-3-ene-5,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide (2E,4E,6R)-N-[(1S,2R,2'R,3'S,5R,6S)-3-chloranyl-2,2'-bis(oxidanyl)spiro[7-oxabicyclo[4.1.0]hept-3-ene-5,5'-oxolane]-3'-yl]-4,6-dimethyl-dodeca-2,4-dienamide |
| Wiley ID | 827012 |