| SpectraBase Spectrum ID |
6ffk6khleAE |
| Name |
(2R,9S,9aR,10R)-2,3,4,5,7,8,9,9a-Octahydro-2-methoxy-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepine-5-one |
| Alternate Name(s) |
(1R,9S,10R,12R)-1-methoxy-12-[(4-methoxybenzyl)oxy]-11-oxatricyclo[7.2.1.0(5,10)]dodec-5-en-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-22-14-8-6-13(7-9-14)12-24-19-16-5-3-4-15-17(21)10-11-20(19,23-2)25-18(15)16/h4,6-9,16,18-19H,3,5,10-12H2,1-2H3/t16-,18-,19+,20+/m0/s1 |
| InChIKey |
PEDLESPZTNXCPJ-IJXRJRJASA-N |
| Molecular Weight |
344.407 g/mol |
| SMILES |
[C@]12(O[C@@]3(CCC(C2=CCC[C@@]1([C@]3(OCc1ccc(cc1)OC)[H])[H])=O)OC)[H] |
| SPLASH |
splash10-00di-0900000000-b6034c8ce68935f8326d |
| Source of Spectrum |
K-2001-2202-22 |
| Wiley ID |
1579613 |
![(2R,9S,9aR,10R)-2,3,4,5,7,8,9,9a-Octahydro-2-methoxy-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepine-5-one](/api/spectrum/6ffk6khleAE/structure.png?h=300&w=458 "(2R,9S,9aR,10R)-2,3,4,5,7,8,9,9a-Octahydro-2-methoxy-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepine-5-one")
