| SpectraBase Spectrum ID |
HPPYTR6gGhK |
| Name |
rel-(1R,2aS,8bS)-2a-Benzoyl-1-cyclohexyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
| Alternate Name(s) |
(1R,2aS,8bS)-2a-benzoyl-1-cyclohexyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H24O3 |
| InChI |
InChI=1S/C24H24O3/c25-22(17-11-5-2-6-12-17)24-15-19(16-9-3-1-4-10-16)21(24)18-13-7-8-14-20(18)27-23(24)26/h2,5-8,11-14,16,19,21H,1,3-4,9-10,15H2/t19-,21-,24+/m1/s1 |
| InChIKey |
HDXYKQRMNBZZEC-ZYKOEDHHSA-N |
| Molecular Weight |
360.453 g/mol |
| SMILES |
c12c([C@]3([C@@](C(O2)=O)(C[C@@]3(C2CCCCC2)[H])C(c2ccccc2)=O)[H])cccc1 |
| SPLASH |
splash10-0a4i-0090000000-4ab9a8c074c44f2e6884 |
| Source of Spectrum |
O1-65-2426-3 |
| Wiley ID |
1593268 |
![rel-(1R,2aS,8bS)-2a-Benzoyl-1-cyclohexyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/HPPYTR6gGhK/structure.png?h=300&w=458 "rel-(1R,2aS,8bS)-2a-Benzoyl-1-cyclohexyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one")
