| SpectraBase Spectrum ID |
1qmUflp2Lr4 |
| Name |
((2S,3R)-3-Methyl-3-((S)-tetrahydro-2H-pyran-2-yl)oxiran-2-yl)-methyl 4-Bromobenzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19BrO4 |
| InChI |
InChI=1S/C16H19BrO4/c1-16(13-4-2-3-9-19-13)14(21-16)10-20-15(18)11-5-7-12(17)8-6-11/h5-8,13-14H,2-4,9-10H2,1H3/t13-,14-,16+/m0/s1 |
| InChIKey |
LWFSOJVGRWLEAX-OFQRWUPVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np5008922 |
| Molecular Weight |
355.228 g/mol |
| Optical Rotation |
[a]D25 = -29.9 (c = 1.6, CHCl3) |
| Reported Formula |
C16H19BrO4 |
| SMILES |
C1O[C@@](CCC1)([C@@]1([C@@](O1)(COC(c1ccc(cc1)Br)=O)[H])C)[H] |
| SPLASH |
splash10-000i-9200000000-d9dce521fe5b24acb6b0 |
| Source of Spectrum |
G4-78-720-18 |
| Thin-Layer Chromatography |
Rf = 0.28 (silica gel, n-hexane/EtOAc, 9:1) |
| Wiley ID |
1865846 |
