| SpectraBase Compound ID | EETBUmHGORs |
|---|---|
| InChI | InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14?,15?,16?,17?,18-,20+,21-,23-,24+,25+,26+,27-,28-/m1/s1 |
| InChIKey | FKQUQCYOBZEPTK-FDEMEQBPSA-N |
| Mol Weight | 486.6 g/mol |
| Molecular Formula | C28H38O7 |
| Exact Mass | 486.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9cHhyH98GGe |
|---|---|
| Name | Acnistine E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O7 |
| InChI | InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14?,15?,16?,17?,18-,20+,21-,23-,24+,25+,26+,27-,28-/m1/s1 |
| InChIKey | FKQUQCYOBZEPTK-FDEMEQBPSA-N |
| Molecular Weight | 486.605 g/mol |
| SMILES | O[C@]1(C(O[C@]2(C([C@]3([C@@]4(C(C5C[C@@]6([C@]7([C@@](C5CC4)(C(=O)C=C[C@@]7(O)[H])C)O6)[H])CC3)C)O)C[C@]1(C)C2)[H])=O)C |
| SPLASH | splash10-00di-0912100000-70c391d07dc7d58a700d |
| Source of Spectrum | Y4-88-709-0 |
| Synonyms | 17-(3',4'-Dimethyl-4'-hydroxy-5'-oxo-6'-oxabicyclo[3.2.1]octyl)-1-oxo-5,6-epoxy-4,17-dihydroxy-10,13-dimethyltetracycloheptadecane |
| Wiley ID | 1550313 |