| SpectraBase Compound ID | 923mwaiCfjY |
|---|---|
| InChI | InChI=1S/C26H39NO6/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-32-19(4)27-20)33-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1 |
| InChIKey | RINOSSPYIGLHTK-QJKGZULSSA-N |
| Mol Weight | 461.6 g/mol |
| Molecular Formula | C26H39NO6 |
| Exact Mass | 461.277738 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3NulM7H0S1a |
|---|---|
| Name | Epothylone h-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO6 |
| InChI | InChI=1S/C26H39NO6/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-32-19(4)27-20)33-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1 |
| InChIKey | RINOSSPYIGLHTK-QJKGZULSSA-N |
| Molecular Weight | 461.599 g/mol |
| SMILES | O[C@@]1([C@](C(C([C@](CC(O[C@@](C\C=C/CCC[C@@]1(C)[H])(\C(=C\c1nc(C)oc1)C)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-0uk9-0900000000-7b3964e619f800712038 |
| Source of Spectrum | G4-64-853-12 |
| Synonyms | (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-4-oxazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyloxazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,16S)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione |
| Wiley ID | 1609089 |