| SpectraBase Spectrum ID |
Dq35eB9XW2K |
| Name |
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl) cyclohexyl (2-R)-4,4-dimethyl-2-phenylpentanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H40O2 |
| InChI |
InChI=1S/C29H40O2/c1-21-17-18-25(29(5,6)23-15-11-8-12-16-23)26(19-21)31-27(30)24(20-28(2,3)4)22-13-9-7-10-14-22/h7-16,21,24-26H,17-20H2,1-6H3/t21-,24-,25-,26-/m1/s1 |
| InChIKey |
SITVCOZFDCTQGS-JLZPKONASA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
420.637 g/mol |
| Optical Rotation |
[a]D20 = -41.7 (c = 0.9, CHCl3) |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(C)(C)c1ccccc1)[H])(OC([C@@](c1ccccc1)(CC(C)(C)C)[H])=O)[H])(C)[H] |
| SPLASH |
splash10-014i-2920000000-f6df7bf8267ba3470278 |
| Source of Spectrum |
BJO-13-SM24-R-30c |
| Thin-Layer Chromatography |
Rf = 0.49 |
| Wiley ID |
1848337 |
