| SpectraBase Compound ID | LlGb8HyCK3R |
|---|---|
| InChI | InChI=1S/C28H43NO6S/c1-8-23-29-19(15-36-23)12-17(3)20-13-22-28(7,35-22)11-9-10-16(2)25(32)18(4)26(33)27(5,6)21(30)14-24(31)34-20/h12,15-16,18,20-22,25,30,32H,8-11,13-14H2,1-7H3/b17-12+/t16-,18+,20-,21-,22-,25-,28+/m0/s1 |
| InChIKey | FBHLXXMDOGRQOQ-GPTRSRDWSA-N |
| Mol Weight | 521.7 g/mol |
| Molecular Formula | C28H43NO6S |
| Exact Mass | 521.281109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZB4TBm2u12 |
|---|---|
| Name | Epothylone b-10 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H43NO6S |
| InChI | InChI=1S/C28H43NO6S/c1-8-23-29-19(15-36-23)12-17(3)20-13-22-28(7,35-22)11-9-10-16(2)25(32)18(4)26(33)27(5,6)21(30)14-24(31)34-20/h12,15-16,18,20-22,25,30,32H,8-11,13-14H2,1-7H3/b17-12+/t16-,18+,20-,21-,22-,25-,28+/m0/s1 |
| InChIKey | FBHLXXMDOGRQOQ-GPTRSRDWSA-N |
| Molecular Weight | 521.713 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(CC)sc1)C)[H])[H])C)(C)[H])(O)[H])(C)[H])=O)(C)C)[H] |
| SPLASH | splash10-001i-0911000000-20803244c663b7fcc19f |
| Source of Spectrum | G4-64-853-9 |
| Synonyms | (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-(2-ethyl-4-thiazolyl)prop-1-en-2-yl]-7,11-dihydroxy-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-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-dihydroxy-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)-2-(2-ethylthiazol-4-yl)-1-methyl-vinyl]-7,11-dihydroxy-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-ethyl-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 |
| Wiley ID | 1609092 |