| SpectraBase Compound ID | GvhnUfIZNeB |
|---|---|
| InChI | InChI=1S/C32H54O7/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/h21-23,25-26,34,36H,10-19H2,1-9H3/t21-,22-,23-,25-,26-,29-,30-,31+,32-/m0/s1 |
| InChIKey | FXUNYBJQUZGQGW-HTUSEZHSSA-N |
| Mol Weight | 550.8 g/mol |
| Molecular Formula | C32H54O7 |
| Exact Mass | 550.386954 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3FZxLeqG81Y |
|---|---|
| Name | 15,21-Dideacetyl-10-acetoxy-4-oxo-28-hydro-Raspacionin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H54O7 |
| InChI | InChI=1S/C32H54O7/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/h21-23,25-26,34,36H,10-19H2,1-9H3/t21-,22-,23-,25-,26-,29-,30-,31+,32-/m0/s1 |
| InChIKey | FXUNYBJQUZGQGW-HTUSEZHSSA-N |
| Molecular Weight | 550.777 g/mol |
| SMILES | O[C@@]1(C(O[C@@]2([C@]([C@@]([C@@](CC2)(O)C)(CC[C@@]2([C@](OC(=O)C)(C)CC[C@@]3(OC(C)(C)C(CC[C@@]23C)=O)[H])[H])[H])(CC1)C)[H])(C)C)[H] |
| SPLASH | splash10-00e9-0006900000-0be21342f290382780d4 |
| Source of Spectrum | X2-57-789-8 |
| Synonyms | Acetic acid [(5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[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-[(3S,5aS,6S,7R,9aS)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[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-[(3S,5aS,6S,7R,9aS)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[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 | 1605475 |