| SpectraBase Spectrum ID |
77GhEaPKLCY |
| Name |
1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-phenyl-2-(phenylmethyl)-6-[(phenylmethyl)amino]-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)- |
| Alternate Name(s) |
(3aS,4R,5R,6R)-2-benzyl-6-(benzylamino)-5-hydroxy-4-phenyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one
3a,4,5,6-tetrahydro-2-benzyl-4-phenyl-5-hydroxy-6-benzylamino-1-isoindolinone |
| CAS Registry Number |
114431-37-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H28N2O2 |
| InChI |
InChI=1S/C28H28N2O2/c31-27-25(29-17-20-10-4-1-5-11-20)16-23-24(26(27)22-14-8-3-9-15-22)19-30(28(23)32)18-21-12-6-2-7-13-21/h1-16,24-27,29,31H,17-19H2/t24-,25-,26+,27+/m1/s1 |
| InChIKey |
OTQUSANPWASZKB-XDZXDJIYSA-N |
| Molecular Weight |
424.544 g/mol |
| SMILES |
N([C@]1([C@@]([C@]([C@@]2(CN(C(C2=C1)=O)Cc1ccccc1)[H])(c1ccccc1)[H])(O)[H])[H])Cc1ccccc1 |
| SPLASH |
splash10-0006-9013100000-e5346d9a52a30aaa5aa4 |
| Source of Spectrum |
AJ-60-3265-5 |
| Wiley ID |
1379458 |
![1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-phenyl-2-(phenylmethyl)-6-[(phenylmethyl)amino]-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-](/api/spectrum/77GhEaPKLCY/structure.png?h=300&w=458 "1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-phenyl-2-(phenylmethyl)-6-[(phenylmethyl)amino]-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-")
