| SpectraBase Spectrum ID |
513cW8hUYJS |
| Name |
3.beta.-tert-Butoxy-5.alpha.-pregn-17(20)-ene-20-carbonitrile |
| CAS Registry Number |
68550-51-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H41NO |
| InChI |
InChI=1S/C26H41NO/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/h18-20,22-23H,7-15H2,1-6H3/b21-17-/t18-,19-,20-,22-,23-,25-,26+/m0/s1 |
| InChIKey |
ZUBPPKJWTUMFMV-LXRLUXTQSA-N |
| Molecular Weight |
383.620 g/mol |
| SMILES |
[C@@]12(\C(=C/(C#N)C)CC[C@]2([C@@]2(CC[C@@]3([C@@]([C@]2(CC1)[H])(CC[C@](OC(C)(C)C)(C3)[H])C)[H])[H])[H])C |
| SPLASH |
splash10-00e9-0093000000-ff0e4e28539c8171edc7 |
| Source of Spectrum |
J-44-706-0 |
| Synonyms |
2-[(1S,2S,5S,7S,10R,11S,14Z,15S)-5-(tert-butoxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-ylidene]propanenitrile |
| Wiley ID |
1361197 |
