| SpectraBase Spectrum ID |
HL4VvbiQtcC |
| Name |
Pregn-5-ene-20-carbonitrile, 3-(1,1-dimethylethoxy)-20-hydroxy-, (3.beta.)- |
| Alternate Name(s) |
2-[(1S,2R,5S,10S,11S,14S,15S)-5-(tert-butoxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]-2-hydroxypropanenitrile
3.beta.-tert-butoxy-20-carbonitrilepregn-5-en-20-ol |
| CAS Registry Number |
62623-51-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H41NO2 |
| InChI |
InChI=1S/C26H41NO2/c1-23(2,3)29-18-11-13-24(4)17(15-18)7-8-19-20-9-10-22(26(6,28)16-27)25(20,5)14-12-21(19)24/h7,18-22,28H,8-15H2,1-6H3/t18-,19-,20-,21-,22-,24-,25-,26?/m0/s1 |
| InChIKey |
HYQZXHQIHRPWED-ULGQVVFWSA-N |
| Molecular Weight |
399.619 g/mol |
| SMILES |
OC([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(C)(C)C)(C4)[H])C)[H])(CC1)[H])C)[H])(C#N)C |
| SPLASH |
splash10-07or-4079000000-90984989ff458128f4b7 |
| Source of Spectrum |
C-99-1541-0 |
| Wiley ID |
1369112 |
