| SpectraBase Compound ID | 1gHrigXThDU |
|---|---|
| InChI | InChI=1S/C21H30O3Se/c1-18(2,22)15-10-11-19(3)14-23-20(4)17(24-21(19,20)12-15)13-25-16-8-6-5-7-9-16/h5-9,15,17,22H,10-14H2,1-4H3/t15-,17-,19+,20-,21-/m1/s1 |
| InChIKey | DXKFSXYVKYRCKF-MCUYSKAESA-N |
| Mol Weight | 409.44 g/mol |
| Molecular Formula | C21H30O3Se |
| Exact Mass | 410.136017 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8UqKaNkcSUV |
|---|---|
| Name | (3R,4R,5R)-1,4:3,5-Diepoxy-2-phenylselanyl-1,2-secoeudesman-11-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3Se |
| InChI | InChI=1S/C21H30O3Se/c1-18(2,22)15-10-11-19(3)14-23-20(4)17(24-21(19,20)12-15)13-25-16-8-6-5-7-9-16/h5-9,15,17,22H,10-14H2,1-4H3/t15-,17-,19+,20-,21-/m1/s1 |
| InChIKey | DXKFSXYVKYRCKF-MCUYSKAESA-N |
| Molecular Weight | 409.440 g/mol |
| SMILES | OC([C@]1(C[C@@]23[C@@](OC[C@@]3(CC1)C)(C)[C@](O2)(C[Se]c1ccccc1)[H])[H])(C)C |
| SPLASH | splash10-01tc-0940000000-d2cd8c04acaf545b969b |
| Source of Spectrum | F-68-4430-34 |
| Synonyms | 2-[(2S,2aR,4aS,7R,8aR)-2a,4a-dimethyl-2-[(phenylseleno)methyl]-2,4,5,6,7,8-hexahydrooxeto[2,3-i]isobenzofuran-7-yl]-2-propanol 2-[(2S,2aR,4aS,7R,8aR)-2a,4a-dimethyl-2-(phenylselanylmethyl)-2,4,5,6,7,8-hexahydrooxeto[2,3-i]isobenzofuran-7-yl]propan-2-ol 2-[(2S,2aR,4aS,7R,8aR)-2a,4a-dimethyl-2-(phenylselanylmethyl)-2,4,5,6,7,8-hexahydrooxeto[2,3-i][2]benzofuran-7-yl]propan-2-ol |
| Wiley ID | 1572599 |