| SpectraBase Spectrum ID |
FeYITywDY4N |
| Name |
rac-(3R,3aR,4R,5R,6S,7S,7aS)-5,6-epoxy-3-isopropoxyhexahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-4(2)14-12-8-6-3-5(9-10(6)15-9)7(8)11(13)16-12/h4-10,12H,3H2,1-2H3/t5-,6+,7-,8+,9-,10+,12+/m0/s1 |
| InChIKey |
HUYXVRIGNULQFM-BFRHEXBSSA-N |
| Instrument Name |
Shimadzu GC-17A-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.201800557 |
| Molecular Weight |
224.256 g/mol |
| SMILES |
[C@]12([C@]3([C@@]([C@]([C@@]4([C@]2(O4)[H])[H])(C1)[H])([C@@](OC3=O)(OC(C)C)[H])[H])[H])[H] |
| SPLASH |
splash10-002f-9200000000-e787c3c260a78b6a1f50 |
| Source of Spectrum |
CBD-16-SM8-18 |
| Thin-Layer Chromatography |
Rf = 0.30 (hexane/EtOAc, 5:1) |
| Wiley ID |
1835404 |
