| SpectraBase Compound ID | DDkL2f5tuyg |
|---|---|
| InChI | InChI=1S/C27H41NO7S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-29)28-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,29-30,32H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,21-,24-,27+/m0/s1 |
| InChIKey | UKIMCRYGLFQEOE-RGJAOAFDSA-N |
| Mol Weight | 523.7 g/mol |
| Molecular Formula | C27H41NO7S |
| Exact Mass | 523.260374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1m61QrtcS8 |
|---|---|
| Name | Epothylone F |
| Alternate Name(s) | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(E)-1-[2-(hydroxymethyl)-4-thiazolyl]prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(E)-2-[2-(hydroxymethyl)thiazol-4-yl]-1-methyl-vinyl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41NO7S |
| InChI | InChI=1S/C27H41NO7S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-29)28-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,29-30,32H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,21-,24-,27+/m0/s1 |
| InChIKey | UKIMCRYGLFQEOE-RGJAOAFDSA-N |
| Molecular Weight | 523.685 g/mol |
| SMILES | OCc1nc(\C=C\([C@@]2(C[C@@]3(O[C@@]3(CCC[C@@]([C@@]([C@](C(C([C@](CC(O2)=O)(O)[H])(C)C)=O)(C)[H])(O)[H])(C)[H])C)[H])[H])C)cs1 |
| SPLASH | splash10-001i-0902000000-8eb07ece754705c0e116 |
| Source of Spectrum | G4-64-852-4 |
| Wiley ID | 1609097 |