| SpectraBase Spectrum ID |
5o04luZ9xdV |
| Name |
rel-(1R,2aR,8bR)-1-Acetoxymethyl-2a-benzoyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
| Alternate Name(s) |
[(1R,2aR,8bR)-2a-benzoyl-3-oxo-1,2a,3,8b-tetrahydro-2H-cyclobuta[c]chromen-1-yl]methyl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18O5 |
| InChI |
InChI=1S/C21H18O5/c1-13(22)25-12-15-11-21(19(23)14-7-3-2-4-8-14)18(15)16-9-5-6-10-17(16)26-20(21)24/h2-10,15,18H,11-12H2,1H3/t15-,18+,21+/m0/s1 |
| InChIKey |
ULIWCCZHHXNMSA-RRMPHLOHSA-N |
| Molecular Weight |
350.370 g/mol |
| SMILES |
c12c([C@@]3([C@](C(O2)=O)(C[C@]3(COC(=O)C)[H])C(c2ccccc2)=O)[H])cccc1 |
| SPLASH |
splash10-0a4i-0900000000-be1d7518b4c4585b1d20 |
| Source of Spectrum |
O1-65-2425-2 |
| Wiley ID |
1593271 |
![rel-(1R,2aR,8bR)-1-Acetoxymethyl-2a-benzoyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/5o04luZ9xdV/structure.png?h=300&w=458 "rel-(1R,2aR,8bR)-1-Acetoxymethyl-2a-benzoyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one")
