| SpectraBase Spectrum ID |
E8rQp8tIylO |
| Name |
Di[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl] (2'R,3'R)-2',3'-di(tertbutyl)succinate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H64O4 |
| InChI |
InChI=1S/C39H64O4/c1-25-19-21-28(36(3,4)5)30(23-25)42-34(40)32(37(6,7)8)33(38(9,10)11)35(41)43-31-24-26(2)20-22-29(31)39(12,13)27-17-15-14-16-18-27/h14-18,25-26,28-33H,19-24H2,1-13H3/t25-,26-,28-,29-,30-,31-,32+,33+/m1/s1 |
| InChIKey |
IODWXHDEZMNCLM-ONGVXVDHSA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
596.937 g/mol |
| Optical Rotation |
[a]D20 = -50.0 (c = 1.0, trichloromethane) |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(c1ccccc1)(C)C)[H])(OC([C@]([C@@](C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)(C)C)[H])[H])=O)(C(C)(C)C)[H])(C(C)(C)C)[H])=O)[H])(C)[H] |
| SPLASH |
splash10-0avr-9410000000-e88c381453cff4b9f0a9 |
| Source of Spectrum |
BJO-13-SM23-29a |
| Wiley ID |
1848332 |
![Di[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl] (2'R,3'R)-2',3'-di(tertbutyl)succinate](/api/spectrum/E8rQp8tIylO/structure.png?h=300&w=458 "Di[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl] (2'R,3'R)-2',3'-di(tertbutyl)succinate")
