| SpectraBase Spectrum ID |
9KvTdncZRVY |
| Name |
(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl(2'S)-2'-(tert-butyl)-4',4'-dimethylpentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-19-15-16-21(27(8,9)20-13-11-10-12-14-20)23(17-19)29-24(28)22(26(5,6)7)18-25(2,3)4/h10-14,19,21-23H,15-18H2,1-9H3/t19-,21-,22-,23-/m1/s1 |
| InChIKey |
HJOCZSNQFNPVKI-JMJGKCIBSA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
400.647 g/mol |
| Optical Rotation |
[a]D20= -6.8 (c = 1.8, trichloromethane) |
| Reported Formula |
C27H44O2 |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(c1ccccc1)(C)C)[H])(OC([C@@](CC(C)(C)C)(C(C)(C)C)[H])=O)[H])(C)[H] |
| SPLASH |
splash10-014i-2910000000-32389ebbb5fe3653fcc8 |
| Sample Comments |
65% de |
| Source of Spectrum |
BJO-13-SM18-25b |
| Wiley ID |
1848323 |
