| SpectraBase Spectrum ID |
JPUeNrZFEDp |
| Name |
di[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2'S,3'S)-2',3'- di(tert-butyl)-succinate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H58O4 |
| InChI |
InChI=1S/C32H58O4/c1-19(2)23-15-13-21(5)17-25(23)35-29(33)27(31(7,8)9)28(32(10,11)12)30(34)36-26-18-22(6)14-16-24(26)20(3)4/h19-28H,13-18H2,1-12H3/t21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 |
| InChIKey |
ZXSBLJNEWZZXEU-YNMRTIPJSA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
506.812 g/mol |
| Optical Rotation |
[a]D20 = -75.4 (c = 1.0, trichloromethane) |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(C)C)[H])(OC([C@@]([C@](C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)(C(C)(C)C)[H])(C(C)(C)C)[H])=O)[H])(C)[H] |
| SPLASH |
splash10-01q9-3292000000-9d767d7d16d080e0e0d3 |
| Sample Comments |
dr = 0.21 |
| Source of Spectrum |
BJO-13-SM21-27c |
| Wiley ID |
1848329 |
![di[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2'S,3'S)-2',3'- di(tert-butyl)-succinate](/api/spectrum/JPUeNrZFEDp/structure.png?h=300&w=458 "di[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2'S,3'S)-2',3'- di(tert-butyl)-succinate")
