| SpectraBase Spectrum ID |
Gg9dZcgc27y |
| Name |
13-(1',3'-Dioxolan-2'-yl)-3-oxo-16,17-seco-17-nor-androst-5-ene-16-nitrile |
| Alternate Name(s) |
2-[(2S,4bR)-2-(1,3-dioxolan-2-yl)-2,4b-dimethyl-7-oxo-3,4,4a,5,6,9,10,10a-octahydro-1H-phenanthren-1-yl]acetonitrile
2-[(2S,4bR)-2-(1,3-dioxolan-2-yl)-2,4b-dimethyl-7-oxidanylidene-3,4,4a,5,6,9,10,10a-octahydro-1H-phenanthren-1-yl]ethanenitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29NO3 |
| InChI |
InChI=1S/C21H29NO3/c1-20-8-5-15(23)13-14(20)3-4-16-17(20)6-9-21(2,18(16)7-10-22)19-24-11-12-25-19/h13,16-19H,3-9,11-12H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1 |
| InChIKey |
NHVNYXUDSKXFMJ-CEJNIXRPSA-N |
| Molecular Weight |
343.467 g/mol |
| SMILES |
[C@@]12(C(=CC(CC2)=O)CCC2C1CC[C@@](C1OCCO1)(C)C2CC#N)C |
| SPLASH |
splash10-00di-9001000000-db36734634f2f98c9065 |
| Source of Spectrum |
G-73-629-4 |
| Wiley ID |
1693176 |
