| SpectraBase Spectrum ID |
LJMAgQR5MS7 |
| Name |
[(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]methanol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31BO3 |
| InChI |
InChI=1S/C21H31BO3/c1-14(2)21(7)12-16(13-23)18(21)15-8-10-17(11-9-15)22-24-19(3,4)20(5,6)25-22/h8-11,16,18,23H,1,12-13H2,2-7H3/t16-,18-,21+/m1/s1 |
| InChIKey |
QAARTEOOEMPYJM-BLIXFSHQSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
342.286 g/mol |
| Optical Rotation |
[a]D25 = +22 (c = 1, CH2Cl2) |
| Reported Formula |
C21H31BO3 |
| SMILES |
OC[C@]1(C[C@]([C@@]1(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)[H])(C(C)=C)C)[H] |
| SPLASH |
splash10-03xr-0950000000-d9016974cc8e7ad4d799 |
| Sample Comments |
dr = 91:9, er = 94:6 |
| Source of Spectrum |
ACI-59-SM83-S14ka |
| Thin-Layer Chromatography |
Rf = 0.27 (P/Et2O, 6:4) |
| Wiley ID |
1857981 |
![[(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]methanol](/api/spectrum/LJMAgQR5MS7/structure.png?h=300&w=458 "[(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]methanol")
