| SpectraBase Compound ID | Ihuye7HC6lQ |
|---|---|
| InChI | InChI=1S/C21H21NO6/c23-16-10-11-17-18(19(16)24)22(21(26)28-17)20(25)14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-9,16-19,23-24H,10-12H2/t16-,17-,18+,19-/m1/s1 |
| InChIKey | MICRPFGUTLUXRQ-AKHDSKFASA-N |
| Mol Weight | 383.4 g/mol |
| Molecular Formula | C21H21NO6 |
| Exact Mass | 383.136887 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DpGBTYlref8 |
|---|---|
| Name | (3aR,4S,5R,7aR)-3-(4-Benzyloxybenzoyl)-4,5-dihydroxy-hexahydro-benzooxazol-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H21NO6 |
| InChI | InChI=1S/C21H21NO6/c23-16-10-11-17-18(19(16)24)22(21(26)28-17)20(25)14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-9,16-19,23-24H,10-12H2/t16-,17-,18+,19-/m1/s1 |
| InChIKey | MICRPFGUTLUXRQ-AKHDSKFASA-N |
| Molecular Weight | 383.400 g/mol |
| SMILES | O[C@@]1(CC[C@]2(OC(N([C@@]2([C@@]1(O)[H])[H])C(c1ccc(OCc2ccccc2)cc1)=O)=O)[H])[H] |
| SPLASH | splash10-0006-9010000000-d8c7d085012bdf3bcbea |
| Source of Spectrum | F-65-218-18 |
| Synonyms | (3aR,4S,5R,7aR)-4,5-dihydroxy-3-[oxo-(4-phenylmethoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one (3aR,4S,5R,7aR)-4,5-dihydroxy-3-(4-phenylmethoxybenzoyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one (3aR,4S,5R,7aR)-3-(4-benzyloxybenzoyl)-4,5-dihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one (3aR,4S,5R,7aR)-4,5-bis(oxidanyl)-3-(4-phenylmethoxyphenyl)carbonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one |
| Wiley ID | 1682147 |