| SpectraBase Spectrum ID |
3xPZ3BL0rlW |
| Name |
Pregna-5,17(20)-diene-20-carbonitrile, 3-(1,1-dimethylethoxy)-, (3.beta.)- |
| CAS Registry Number |
60727-73-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H39NO |
| InChI |
InChI=1S/C26H39NO/c1-17(16-27)21-9-10-22-20-8-7-18-15-19(28-24(2,3)4)11-13-25(18,5)23(20)12-14-26(21,22)6/h7,19-20,22-23H,8-15H2,1-6H3/b21-17-/t19-,20-,22-,23-,25-,26+/m0/s1 |
| InChIKey |
NXXNEHJBRBJJIS-LNSRBSJJSA-N |
| Molecular Weight |
381.604 g/mol |
| SMILES |
[C@@]12(\C(=C/(C#N)C)CC[C@]2([C@@]2(CC=C3[C@@]([C@]2(CC1)[H])(CC[C@](OC(C)(C)C)(C3)[H])C)[H])[H])C |
| SPLASH |
splash10-0a59-2049000000-b0d33ecdfda2331ffdb3 |
| Source of Spectrum |
C-99-1540-0 |
| Synonyms |
2-[(1S,2R,5S,10R,11S,14Z,15S)-5-(tert-butoxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-ylidene]propanenitrile
3.beta.-tert-butoxy-20-carbonitrilepregna-5.17(20)-diene |
| Wiley ID |
1360308 |
