| SpectraBase Spectrum ID |
Hjp1cpPVWGb |
| Name |
3-Oxopregna-5,17(20)-diene-20-carbonitrile 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]propanenitrile |
| CAS Registry Number |
68550-65-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H33NO2 |
| InChI |
InChI=1S/C24H33NO2/c1-16(15-25)19-6-7-20-18-5-4-17-14-24(26-12-13-27-24)11-10-22(17,2)21(18)8-9-23(19,20)3/h4,18,20-21H,5-14H2,1-3H3/b19-16+/t18-,20-,21-,22-,23+/m0/s1 |
| InChIKey |
YHTSYZJFHRFGDU-BPVQAFNWSA-N |
| Molecular Weight |
367.533 g/mol |
| SMILES |
[C@@]12(\C(=C\(C#N)C)CC[C@]2([C@@]2(CC=C3[C@@]([C@]2(CC1)[H])(CCC1(OCCO1)C3)C)[H])[H])C |
| SPLASH |
splash10-0002-9000000000-0a86cadb07d168bd5e45 |
| Source of Spectrum |
J-44-77-0 |
| Wiley ID |
1352681 |
