| SpectraBase Spectrum ID |
9cOYF5AZf3R |
| Name |
Cholestan-6-one, 3-chloro-, O-nitrooxime, (3.beta.,5.alpha.)- |
| CAS Registry Number |
115075-82-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45ClN2O3 |
| InChI |
InChI=1S/C27H45ClN2O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29-33-30(31)32)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24H,6-16H2,1-5H3/b29-25-/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1 |
| InChIKey |
DRGZEQUVHPTYEM-BSSHQOFQSA-N |
| Molecular Weight |
481.121 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])C\C([C@]2(C[C@](CC1)(Cl)[H])[H])=N\ON(=O)=O)[H])C |
| SPLASH |
splash10-000i-0000900000-b57394c8d5ca0ae0d54d |
| Source of Spectrum |
AJ-60-3413-11 |
| Synonyms |
3.beta.,-chloro-6-nitratoimino-5-.alpha.-cholestane
[(1S,2R,5S,7S,8Z,10S,11S,14R,15R)-5-chloro-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-8-ylidene]amino nitrate |
| Wiley ID |
1395233 |
