| SpectraBase Spectrum ID |
Dpxez4gwnl |
| Name |
2-Nitro-5.alpha.-cholestan-3-one (2-Nitro-5.alpha.-cholest-2-en-3-ol) |
| Alternate Name(s) |
(5alpha)-2-nitrocholestan-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45NO3 |
| InChI |
InChI=1S/C27H45NO3/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25(29)24(28(30)31)16-27(19,5)23(20)13-14-26(21,22)4/h17-24H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24?,26-,27+/m1/s1 |
| InChIKey |
CKRLTARSGDZFIB-ABRMLBOZSA-N |
| Molecular Weight |
431.661 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])CC[C@]2(CC(=O)C(C1)N(=O)=O)[H])[H])C |
| SPLASH |
splash10-0563-9030200000-4c4a5f71173aa031270c |
| Source of Spectrum |
AJ-61-4011-3 |
| Wiley ID |
1382022 |
