| SpectraBase Spectrum ID |
G0on1NUvXsU |
| Name |
(3aR,4R,7R,7aS)-2,4-dimethyl-7-[(1S,2R)-2-methylolcyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone |
| Alternate Name(s) |
(3aS,4R,7R,7aR)-4-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-2,7-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25NO3 |
| InChI |
InChI=1S/C17H25NO3/c1-10-7-8-13(12-6-4-3-5-11(12)9-19)15-14(10)16(20)18(2)17(15)21/h7-8,10-15,19H,3-6,9H2,1-2H3/t10-,11+,12-,13-,14-,15+/m1/s1 |
| InChIKey |
SHCXWGBDEWCZRR-FVUFVHQMSA-N |
| Molecular Weight |
291.391 g/mol |
| SMILES |
OC[C@]1([C@]([C@@]2([C@@]3(C(N(C([C@@]3([C@@](C=C2)(C)[H])[H])=O)C)=O)[H])[H])(CCCC1)[H])[H] |
| SPLASH |
splash10-03i0-0920000000-16405840349af370e111 |
| Source of Spectrum |
KC-0-504-10 |
| Wiley ID |
785163 |
![(3aR,4R,7R,7aS)-2,4-dimethyl-7-[(1S,2R)-2-methylolcyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone](/api/spectrum/G0on1NUvXsU/structure.png?h=300&w=458 "(3aR,4R,7R,7aS)-2,4-dimethyl-7-[(1S,2R)-2-methylolcyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone")
