| SpectraBase Compound ID | CkGb2OOvraC |
|---|---|
| InChI | InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 |
| InChIKey | QXRSDHAAWVKZLJ-PVYNADRNSA-N |
| Mol Weight | 507.7 g/mol |
| Molecular Formula | C27H41NO6S |
| Exact Mass | 507.265459 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3jzItDdPSgP |
|---|---|
| Name | Epothylone B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41NO6S |
| InChI | InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 |
| InChIKey | QXRSDHAAWVKZLJ-PVYNADRNSA-N |
| Molecular Weight | 507.686 g/mol |
| SMILES | O[C@@]1(C(C([C@@]([C@]([C@](CCC[C@]2(O[C@]2(C[C@](OC(C1)=O)(\C(=C\c1nc(C)sc1)C)[H])[H])C)(C)[H])(O)[H])(C)[H])=O)(C)C)[H] |
| SPLASH | splash10-07vi-0902000000-03614c216076b19a0a89 |
| Source of Spectrum | G4-64-852-2 |
| Synonyms | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (1S,3S,7S,10R,11S,12S,16R)-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione |
| Wiley ID | 1609099 |