| SpectraBase Spectrum ID |
FWwbpqoXygC |
| Name |
Estra-1,3,5(10)-triene-4-carbonitrile, 3,17-dihydroxy-, (17.beta.)- |
| Alternate Name(s) |
(17beta)-3,17-dihydroxyestra-1,3,5(10)-triene-4-carbonitrile
3,17.beta.-dihydroxyestra-1,3,5(10)-triene-4-carbonitrile
4-Cyano-17.beta.-estradiol |
| CAS Registry Number |
99503-86-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H23NO2 |
| InChI |
InChI=1S/C19H23NO2/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,13-14,16,18,21-22H,2-3,5,7-9H2,1H3/t13-,14-,16+,18+,19+/m1/s1 |
| InChIKey |
WBRGVLMPOWLKEQ-AFTVQHQSSA-N |
| Molecular Weight |
297.398 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@](CC4)(O)[H])(CC[C@]23[H])C)[H])[H])c1C#N |
| SPLASH |
splash10-000j-2890000000-ebf3e4d7cef88a7081af |
| Source of Spectrum |
B-42-417-18 |
| Wiley ID |
1300319 |
