| SpectraBase Spectrum ID |
55Qf9jKlQx1 |
| Name |
3-Methoxyestra-1,3,5(10),16-tetraene-17-carbonitrile |
| Alternate Name(s) |
(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H23NO |
| InChI |
InChI=1S/C20H23NO/c1-20-10-9-17-16-7-5-15(22-2)11-13(16)3-6-18(17)19(20)8-4-14(20)12-21/h4-5,7,11,17-19H,3,6,8-10H2,1-2H3/t17-,18-,19+,20-/m1/s1 |
| InChIKey |
ZJSJATZOQCCLMX-YSTOQKLRSA-N |
| Literature Reference DOI |
10.1002_(SICI)1522-2675(19981216)81_12_2264 |
| Molecular Weight |
293.410 g/mol |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CCc2c1)[H])[H])C#N)C)[H])OC |
| SPLASH |
splash10-0006-3690000000-fbbe134f23a4aa2ed376 |
| Source of Spectrum |
H-81-2268-7 |
| Wiley ID |
1787470 |
