| SpectraBase Spectrum ID |
KSqd1smcxFR |
| Name |
Pregn-5-ene-18-carbonitrile, 3-(1,1-dimethylethoxy)-20-oxo-, (3.beta.)- |
| CAS Registry Number |
62623-49-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H39NO2 |
| InChI |
InChI=1S/C26H39NO2/c1-17(28)21-8-9-23-20-7-6-18-16-19(29-24(2,3)4)10-12-25(18,5)22(20)11-13-26(21,23)14-15-27/h6,19-23H,7-14,16H2,1-5H3/t19-,20+,21+,22-,23-,25-,26-/m0/s1 |
| InChIKey |
YBTVIGPXSAGMFA-NTJJNODXSA-N |
| Molecular Weight |
397.603 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(C)(C)C)(C4)[H])C)[H])(CC[C@@]1(C(=O)C)[H])[H])CC#N |
| SPLASH |
splash10-0a4i-9031000000-542f400a2eb1eb072179 |
| Source of Spectrum |
C-99-1541-0 |
| Synonyms |
2-[(1S,2R,5S,10S,11S,14S,15R)-14-acetyl-5-(tert-butoxy)-2-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-15-yl]acetonitrile
3.beta.-tert-butoxy-18-carbonitrilepregn-5-en-20-one |
| Wiley ID |
1368081 |
