![8a-Methyl-4-phenyl-8-(.alpha.-hydroxy-4-chlorobenzyl)perhydrobenzo[b]pyran-2-one](/api/spectrum/CDeXQXnZ8hX/structure.png?h=300&w=458 "8a-Methyl-4-phenyl-8-(.alpha.-hydroxy-4-chlorobenzyl)perhydrobenzo[b]pyran-2-one")
| SpectraBase Compound ID | 57uYKd4vJnt |
|---|---|
| InChI | InChI=1S/C23H25ClO3/c1-23-19(18(14-21(25)27-23)15-6-3-2-4-7-15)8-5-9-20(23)22(26)16-10-12-17(24)13-11-16/h2-4,6-7,10-13,18-20,22,26H,5,8-9,14H2,1H3/t18-,19-,20-,22-,23+/m0/s1 |
| InChIKey | HVEJINIPIGRTSY-QHHCOUFXSA-N |
| Mol Weight | 384.9 g/mol |
| Molecular Formula | C23H25ClO3 |
| Exact Mass | 384.149222 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CDeXQXnZ8hX |
|---|---|
| Name | 8a-Methyl-4-phenyl-8-(.alpha.-hydroxy-4-chlorobenzyl)perhydrobenzo[b]pyran-2-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H25ClO3 |
| InChI | InChI=1S/C23H25ClO3/c1-23-19(18(14-21(25)27-23)15-6-3-2-4-7-15)8-5-9-20(23)22(26)16-10-12-17(24)13-11-16/h2-4,6-7,10-13,18-20,22,26H,5,8-9,14H2,1H3/t18-,19-,20-,22-,23+/m0/s1 |
| InChIKey | HVEJINIPIGRTSY-QHHCOUFXSA-N |
| Molecular Weight | 384.903 g/mol |
| SMILES | O[C@]([C@]1([C@]2([C@]([C@](c3ccccc3)(CC(O2)=O)[H])(CCC1)[H])C)[H])(c1ccc(cc1)Cl)[H] |
| SPLASH | splash10-0002-9300000000-b4bead373fdbd174bcc1 |
| Source of Spectrum | QE-1-236-14 |
| Synonyms | (4R,4aS,8S,8aR)-8-[(R)-(4-Chloro-phenyl)-hydroxy-methyl]-8a-methyl-4-phenyl-octahydro-chromen-2-one 8-[(4-chlorophenyl)(hydroxy)methyl]-8a-methyl-4-phenyloctahydro-2H-chromen-2-one (4R,4aS,8S,8aR)-8-[(R)-(4-chlorophenyl)-hydroxymethyl]-8a-methyl-4-phenyl-4,4a,5,6,7,8-hexahydro-3H-1-benzopyran-2-one (4R,4aS,8S,8aR)-8-[(R)-(4-chlorophenyl)-hydroxymethyl]-8a-methyl-4-phenyl-4,4a,5,6,7,8-hexahydro-3H-chromen-2-one (4R,4aS,8S,8aR)-8-[(R)-(4-chlorophenyl)-oxidanyl-methyl]-8a-methyl-4-phenyl-4,4a,5,6,7,8-hexahydro-3H-chromen-2-one |
| Wiley ID | 842466 |