| SpectraBase Spectrum ID |
Csh64m3cW8o |
| Name |
3-Oxopregna-5,17(20)-diene-21-nitrile Ethylene Ketal |
| Alternate Name(s) |
2-[(1'S,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-7'-en-14'-ylidene]acetonitrile |
| CAS Registry Number |
68550-55-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H31NO2 |
| InChI |
InChI=1S/C23H31NO2/c1-21-9-7-20-18(19(21)6-4-16(21)8-12-24)5-3-17-15-23(25-13-14-26-23)11-10-22(17,20)2/h3,8,18-20H,4-7,9-11,13-15H2,1-2H3/b16-8+/t18-,19-,20-,21+,22-/m0/s1 |
| InChIKey |
LLDCPUFEQGHEOL-UTBOBFJSSA-N |
| Molecular Weight |
353.506 g/mol |
| SMILES |
[C@]12(C(=CC[C@]3([C@@]4(CC\C([C@]4(CC[C@]23[H])C)=C/C#N)[H])[H])CC2(CC1)OCCO2)C |
| SPLASH |
splash10-0002-9101000000-eec53e51713714fcf5e5 |
| Source of Spectrum |
J-44-707-0 |
| Wiley ID |
1344110 |
