| SpectraBase Spectrum ID |
3ZUki0G0pc |
| Name |
8-Methyll-3a-(4-nitro-benzoyloxy)-decahydro-cyclopenta[a]indene-8a-carboxylic acid |
| Alternate Name(s) |
8-Methyl-3a-[(4-nitrobenzoyl)oxy]decahydrocyclopenta[a]indene-8a(1H)-carboxylic acid
9-(p-Nitrobenzoyloxy)-2-dodecane-1-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO6 |
| InChI |
InChI=1S/C21H25NO6/c1-13-16-5-2-3-6-17(16)21(12-4-11-20(13,21)19(24)25)28-18(23)14-7-9-15(10-8-14)22(26)27/h7-10,13,16-17H,2-6,11-12H2,1H3,(H,24,25)/t13-,16+,17+,20-,21-/m0/s1 |
| InChIKey |
FKYGUAMYWKUDBM-XLKVYAKGSA-N |
| Molecular Weight |
387.432 g/mol |
| SMILES |
OC([C@@]12[C@@](OC(c3ccc(N(=O)=O)cc3)=O)([C@@]3(CCCC[C@@]3([C@@]1(C)[H])[H])[H])CCC2)=O |
| SPLASH |
splash10-004i-4910000000-d30c69a8cec420fc4154 |
| Source of Spectrum |
D8-323-131-28 |
| Wiley ID |
1513556 |
![8-Methyll-3a-(4-nitro-benzoyloxy)-decahydro-cyclopenta[a]indene-8a-carboxylic acid](/api/spectrum/3ZUki0G0pc/structure.png?h=300&w=458 "8-Methyll-3a-(4-nitro-benzoyloxy)-decahydro-cyclopenta[a]indene-8a-carboxylic acid")
