| SpectraBase Spectrum ID |
IS8PP8h99SX |
| Name |
2,4-Dinitro-5.beta.-cholstan-3-one |
| CAS Registry Number |
124094-90-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44N2O5 |
| InChI |
InChI=1S/C27H44N2O5/c1-16(2)7-6-8-17(3)19-11-12-20-18-9-10-22-24(29(33)34)25(30)23(28(31)32)15-27(22,5)21(18)13-14-26(19,20)4/h16-24H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23?,24?,26-,27-/m1/s1 |
| InChIKey |
DWVIVZPOANBWMJ-IPBPHQIGSA-N |
| Molecular Weight |
476.658 g/mol |
| SMILES |
C1(C(C(N(=O)=O)C[C@]2([C@@]1(CC[C@]1([C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@]21[H])[H])[H])[H])C)=O)N(=O)=O |
| SPLASH |
splash10-0a4i-9001300000-9e75e4f0d09b0cf78027 |
| Source of Spectrum |
AJ-62-1109-5 |
| Synonyms |
(5beta)-2,4-dinitrocholestan-3-one |
| Wiley ID |
1394347 |
