| SpectraBase Spectrum ID |
L2I9QGUqcbp |
| Name |
3-Oxocholestane-5-.beta.-carbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H45NO |
| InChI |
InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3/t20-,22+,23-,24+,25+,26-,27-,28-/m1/s1 |
| InChIKey |
LQXDEIFCAJLJSU-FRDWVKLBSA-N |
| Molecular Weight |
411.674 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)C#N)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0bt9-0092700000-29e43cadd3874c9a5a6b |
| Source of Spectrum |
J-59-2770-14 |
| Synonyms |
(5beta)-3-oxocholestane-5-carbonitrile |
| Wiley ID |
1374201 |
