| SpectraBase Spectrum ID |
35AiUIEIfXe |
| Name |
Cholest-5-en-6-ol, 3-chloro-, nitrate, (3.beta.)- |
| Alternate Name(s) |
(3beta)-3-chlorocholest-5-en-6-yl nitrate
3.beta.-chloro-6-nitrato-5-cholestene |
| CAS Registry Number |
115058-75-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44ClNO3 |
| InChI |
InChI=1S/C27H44ClNO3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(32-29(30)31)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-23H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,26-,27-/m1/s1 |
| InChIKey |
MFTGQFZKUWTJSI-OLSNINGUSA-N |
| Molecular Weight |
466.106 g/mol |
| SMILES |
[C@]12(C(=C(ON(=O)=O)C[C@@]3([C@@]2(CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@@]32[H])[H])C)[H])[H])C[C@](CC1)(Cl)[H])C |
| SPLASH |
splash10-0002-0009000000-d360b3cbe6652b795eb6 |
| Source of Spectrum |
AJ-60-3413-8 |
| Wiley ID |
1391757 |
