| SpectraBase Spectrum ID |
JFP613EpUF4 |
| Name |
di[(1R,2S,5R)-2-(tert.-butyl)-5-methylcyclohexyl] (2'R,3'S)-2',3'-di(tert.-butyl)succinate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H62O4 |
| InChI |
InChI=1S/C34H62O4/c1-21-15-17-23(31(3,4)5)25(19-21)37-29(35)27(33(9,10)11)28(34(12,13)14)30(36)38-26-20-22(2)16-18-24(26)32(6,7)8/h21-28H,15-20H2,1-14H3/t21-,22-,23-,24-,25-,26-,27-,28+/m1/s1 |
| InChIKey |
AGKJDNHRLNOEOJ-OUORQDJXSA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
534.866 g/mol |
| Optical Rotation |
[a]D20 = -98.0 (c = 0.4, trichloromethane) |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(C)(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 |
splash10-06sj-8390000000-1836dedc49d021ad0bd6 |
| Sample Comments |
dr = 2.00 |
| Source of Spectrum |
BJO-13-SM21-28b |
| Wiley ID |
1848331 |
![di[(1R,2S,5R)-2-(tert.-butyl)-5-methylcyclohexyl] (2'R,3'S)-2',3'-di(tert.-butyl)succinate](/api/spectrum/JFP613EpUF4/structure.png?h=300&w=458 "di[(1R,2S,5R)-2-(tert.-butyl)-5-methylcyclohexyl] (2'R,3'S)-2',3'-di(tert.-butyl)succinate")
