| SpectraBase Spectrum ID |
1RKpSTzP3Ct |
| Name |
(3S*,3aR*,7aS*)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-3-[3-(1,3-dithian-2-yl)propyl]-3a,4,7,7a-tetrahydro-4,7-methanoisoindolin-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H35NO4S2 |
| InChI |
InChI=1S/C26H35NO4S2/c1-30-20-9-6-17(15-21(20)31-2)10-12-27-25(28)23-18-7-8-19(16-18)24(23)26(27,29)11-3-5-22-32-13-4-14-33-22/h6-9,15,18-19,22-24,29H,3-5,10-14,16H2,1-2H3/t18?,19?,23-,24+,26-/m0/s1 |
| InChIKey |
RIPKGEBPXZEBDN-PWHYHISISA-N |
| Molecular Weight |
489.689 g/mol |
| SMILES |
O[C@@]1(N(C([C@]2(C3C=CC([C@@]12[H])C3)[H])=O)CCc1cc(OC)c(cc1)OC)CCCC1SCCCS1 |
| SPLASH |
splash10-03di-0900000000-5980bce4e228fe6b8ed8 |
| Source of Spectrum |
F-54-12376-22 |
| Synonyms |
(2S,5S,6R)-4-[2-(3,4-Dimethoxy-phenyl)-ethyl]-5-(3-[1,3]dithian-2-yl-propyl)-5-hydroxy-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-3-one
(2S,5S,6R)-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-(1,3-dithian-2-yl)propyl]-5-hydroxy-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-3-one |
| Wiley ID |
809207 |
![(3S*,3aR*,7aS*)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-3-[3-(1,3-dithian-2-yl)propyl]-3a,4,7,7a-tetrahydro-4,7-methanoisoindolin-1-one](/api/spectrum/1RKpSTzP3Ct/structure.png?h=300&w=458 "(3S*,3aR*,7aS*)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-3-[3-(1,3-dithian-2-yl)propyl]-3a,4,7,7a-tetrahydro-4,7-methanoisoindolin-1-one")
