| SpectraBase Compound ID | Drko135SYF |
|---|---|
| InChI | InChI=1S/C27H32O5/c1-17-26(31-15-19-9-5-3-6-10-19)24-22(18(2)28)13-21(29)14-23(24)25(30)27(17)32-16-20-11-7-4-8-12-20/h3-12,17,22-27,30H,13-16H2,1-2H3/t17-,22+,23-,24+,25-,26-,27-/m1/s1 |
| InChIKey | YECFYBNEWIWRMK-USUVCMHUSA-N |
| Mol Weight | 436.5 g/mol |
| Molecular Formula | C27H32O5 |
| Exact Mass | 436.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2abBKNjx7im |
|---|---|
| Name | (4R,4aR,5S,6R,7R,8R,8aR)-4-acetyl-5,7-dibenzoxy-8-hydroxy-6-methyl-decalin-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32O5 |
| InChI | InChI=1S/C27H32O5/c1-17-26(31-15-19-9-5-3-6-10-19)24-22(18(2)28)13-21(29)14-23(24)25(30)27(17)32-16-20-11-7-4-8-12-20/h3-12,17,22-27,30H,13-16H2,1-2H3/t17-,22+,23-,24+,25-,26-,27-/m1/s1 |
| InChIKey | YECFYBNEWIWRMK-USUVCMHUSA-N |
| Molecular Weight | 436.548 g/mol |
| SMILES | O[C@]1([C@](OCc2ccccc2)([C@@]([C@]([C@@]2([C@]1(CC(C[C@]2(C(=O)C)[H])=O)[H])[H])(OCc1ccccc1)[H])(C)[H])[H])[H] |
| SPLASH | splash10-0006-9000000000-eb45b601c27177ff8f14 |
| Source of Spectrum | AH-124-976-14 |
| Synonyms | (4R,4aR,5S,6R,7R,8R,8aR)-4-acetyl-5,7-dibenzyloxy-8-hydroxy-6-methyl-decalin-2-one (4R,4aR,5S,6R,7R,8R,8aR)-4-acetyl-8-hydroxy-6-methyl-5,7-bis(phenylmethoxy)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one (4R,4aR,5S,6R,7R,8R,8aR)-4-ethanoyl-6-methyl-8-oxidanyl-5,7-bis(phenylmethoxy)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one |
| Wiley ID | 1383638 |