| SpectraBase Spectrum ID |
KhAYheqPNFD |
| Name |
(E)-(+/-)-(2R,4as,12AS)-2-(4-methoxyphenyl)-4A,7,8,9,12,12A-hexahydrooxecino[10,9-E]-1,3-dioxin-6-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.146723803 u |
| Formula |
C18H22O5 |
| InChI |
InChI=1S/C18H22O5/c1-20-14-10-8-13(9-11-14)18-21-12-16-15(23-18)6-4-2-3-5-7-17(19)22-16/h2,4,8-11,15-16,18H,3,5-7,12H2,1H3/b4-2+/t15-,16-,18+/m0/s1 |
| InChIKey |
AIVKVLULFBUTAX-QJRGYVKFSA-N |
| Molecular Weight |
318.369 g/mol |
| SMILES |
C1\C=C\CCCC(O[C@]2([H])[C@@]1([H])O[C@](C1=CC=C(C=C1)OC)(OC2)[H])=O |
![(E)-(+/-)-(2R,4aS,12aS)-2-(4-Methoxyphenyl)-4a,7,8,9,12,12a-hexahydrooxecino[10,9-e]-1,3-dioxin-6-one](/api/spectrum/KhAYheqPNFD/structure.png?h=300&w=458 "(E)-(+/-)-(2R,4aS,12aS)-2-(4-Methoxyphenyl)-4a,7,8,9,12,12a-hexahydrooxecino[10,9-e]-1,3-dioxin-6-one")
