| SpectraBase Spectrum ID |
BEJRmTtjJvM |
| Name |
Decaspirone A |
| Appearance |
Colorless crysstals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H16O5 |
| InChI |
InChI=1S/C20H16O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-10,12,14,18-19,21,23H/t12-,14+,18-,19+/m0/s1 |
| InChIKey |
LLKZNSIXLPVPBZ-JUUKFZBDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np060385k |
| Molecular Weight |
336.343 g/mol |
| Optical Rotation |
[a]D25 = +309 (c = 0.56, MeOH) |
| Reported Formula |
C20H16O5 |
| SMILES |
O[C@]1(C=C[C@]([C@]2(C3(C=CC([C@]12[H])=O)Oc1c2c(O3)cccc2ccc1)[H])(O)[H])[H] |
| SPLASH |
splash10-0cej-4905000000-9161540c072685a84111 |
| Source of Spectrum |
G4-69-1670-1 |
| Wiley ID |
1874048 |
