| SpectraBase Compound ID | 9M7IfvXbgZ5 |
|---|---|
| InChI | InChI=1S/C32H52O7/c1-20(33)37-32(9)19-15-26-30(7,17-13-24(35)28(4,5)39-26)22(32)11-10-21-29(6)16-12-23(34)27(2,3)38-25(29)14-18-31(21,8)36/h21-22,25-26,36H,10-19H2,1-9H3/t21-,22-,25-,26-,29-,30-,31+,32-/m0/s1 |
| InChIKey | PARKOQRMYMSPLW-JGWYQRAISA-N |
| Mol Weight | 548.8 g/mol |
| Molecular Formula | C32H52O7 |
| Exact Mass | 548.371304 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EF1EyaYMgNf |
|---|---|
| Name | 15-Deacetyl-10-acetoxy-4,21-dioxo-28-hydro-Raspacionin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O7 |
| InChI | InChI=1S/C32H52O7/c1-20(33)37-32(9)19-15-26-30(7,17-13-24(35)28(4,5)39-26)22(32)11-10-21-29(6)16-12-23(34)27(2,3)38-25(29)14-18-31(21,8)36/h21-22,25-26,36H,10-19H2,1-9H3/t21-,22-,25-,26-,29-,30-,31+,32-/m0/s1 |
| InChIKey | PARKOQRMYMSPLW-JGWYQRAISA-N |
| Molecular Weight | 548.761 g/mol |
| SMILES | O[C@]1([C@]([C@]2([C@](OC(C)(C)C(CC2)=O)([H])CC1)C)(CC[C@@]1([C@](OC(=O)C)(C)CC[C@@]2(OC(C)(C)C(CC[C@@]12C)=O)[H])[H])[H])C |
| SPLASH | splash10-03fi-0000900000-295441f9e6748d18cf47 |
| Source of Spectrum | X2-57-789-11 |
| Synonyms | Acetic acid [(5aS,6S,7S,9aS)-6-[2-[(5aS,6S,7R,9aS)-7-hydroxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-7-yl] ester [(5aS,6S,7S,9aS)-6-[2-[(5aS,6S,7R,9aS)-7-hydroxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-7-yl] acetate [(5aS,6S,7S,9aS)-6-[2-[(5aS,6S,7R,9aS)-2,2,5a,7-tetramethyl-7-oxidanyl-3-oxidanylidene-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-2,2,5a,7-tetramethyl-3-oxidanylidene-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-7-yl] ethanoate |
| Wiley ID | 1605471 |