| SpectraBase Spectrum ID |
Cd2NSiLNhT1 |
| Name |
(2R,9S,9aR,10R)-4-Diazo-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) |
(1S,9S,10R,12R)-3-diazo-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 |
C20H22N2O5 |
| InChI |
InChI=1S/C20H22N2O5/c1-24-13-8-6-12(7-9-13)11-26-19-15-5-3-4-14-17(23)16(22-21)10-20(19,25-2)27-18(14)15/h4,6-9,15,18-19H,3,5,10-11H2,1-2H3/t15-,18?,19+,20-/m0/s1 |
| InChIKey |
DATGIVLTYWEPON-PCOGOWJDSA-N |
| Molecular Weight |
370.405 g/mol |
| SMILES |
[C@@]1(OCc2ccc(OC)cc2)([C@@]2(CC(C(C=3C([C@@]1(CCC3)[H])O2)=O)=[N+]=[N-])OC)[H] |
| SPLASH |
splash10-00di-0900000000-b691b6e0668e10f7c46f |
| Source of Spectrum |
K-2001-2202-23 |
| Wiley ID |
1579612 |
![(2R,9S,9aR,10R)-4-Diazo-2,3,4,5,7,8,9,9a-octahydro-2-methoxy-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepine-5-one](/api/spectrum/Cd2NSiLNhT1/structure.png?h=300&w=458 "(2R,9S,9aR,10R)-4-Diazo-2,3,4,5,7,8,9,9a-octahydro-2-methoxy-10-[(4'-methoxyphenyl)methoxy]-2,9-methano-1-benzoxepine-5-one")
