| SpectraBase Compound ID | 3owqyxeK7BM |
|---|---|
| InChI | InChI=1S/C27H41NO6/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)34-22(12-11-16)18(3)13-21-15-33-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1 |
| InChIKey | QJBTYCVYJKZKMC-GIQCAXHBSA-N |
| Mol Weight | 475.6 g/mol |
| Molecular Formula | C27H41NO6 |
| Exact Mass | 475.293388 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AUj3ecnTwWN |
|---|---|
| Name | Epothylone h-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41NO6 |
| InChI | InChI=1S/C27H41NO6/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)34-22(12-11-16)18(3)13-21-15-33-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1 |
| InChIKey | QJBTYCVYJKZKMC-GIQCAXHBSA-N |
| Molecular Weight | 475.626 g/mol |
| SMILES | O[C@@]1([C@](C(C([C@](CC(O[C@@](C\C=C/(CCC[C@@]1(C)[H])C)(\C(=C\c1nc(C)oc1)C)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-0udi-0900000000-a0daa948d1ebc14faa66 |
| Source of Spectrum | G4-64-853-13 |
| Synonyms | (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-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-5,5,7,9,13-pentamethyl-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-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyloxazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,16S)-5,5,7,9,13-pentamethyl-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 | 1609088 |