![(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (S)-.alpha.-hydroxy-.alpha.-[4-(hydroxymethyl)phenyl]benzeneacetate (8-phenylmenthyl (S)-(hydroxymethyl)benzilate](/api/spectrum/BRxLcXJoCDe/structure.png?h=300&w=458 "(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (S)-.alpha.-hydroxy-.alpha.-[4-(hydroxymethyl)phenyl]benzeneacetate (8-phenylmenthyl (S)-(hydroxymethyl)benzilate")
| SpectraBase Compound ID | 5odYTfSIDs9 |
|---|---|
| InChI | InChI=1S/C31H36O4/c1-22-14-19-27(30(2,3)24-10-6-4-7-11-24)28(20-22)35-29(33)31(34,25-12-8-5-9-13-25)26-17-15-23(21-32)16-18-26/h4-13,15-18,22,27-28,32,34H,14,19-21H2,1-3H3/t22-,27-,28-,31?/m1/s1 |
| InChIKey | RBESZCFBXVLZGS-YUPCBWBRSA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C31H36O4 |
| Exact Mass | 472.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRxLcXJoCDe |
|---|---|
| Name | (1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (S)-.alpha.-hydroxy-.alpha.-[4-(hydroxymethyl)phenyl]benzeneacetate (8-phenylmenthyl (S)-(hydroxymethyl)benzilate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.261359635 u |
| Formula | C31H36O4 |
| InChI | InChI=1S/C31H36O4/c1-22-14-19-27(30(2,3)24-10-6-4-7-11-24)28(20-22)35-29(33)31(34,25-12-8-5-9-13-25)26-17-15-23(21-32)16-18-26/h4-13,15-18,22,27-28,32,34H,14,19-21H2,1-3H3/t22-,27-,28-,31?/m1/s1 |
| InChIKey | RBESZCFBXVLZGS-YUPCBWBRSA-N |
| Molecular Weight | 472.625 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)CO)(C=1C=CC=CC1)O)(O[C@]1([C@](C(C=2C=CC=CC2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O |