| SpectraBase Spectrum ID |
4EoE1QvTvNv |
| Name |
Cholest-1-en-3-one, 2-hydroxy-4-nitro-, (4.alpha.,5.alpha.)- |
| CAS Registry Number |
123999-96-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H43NO4 |
| InChI |
InChI=1S/C27H43NO4/c1-16(2)7-6-8-17(3)19-11-12-20-18-9-10-22-24(28(31)32)25(30)23(29)15-27(22,5)21(18)13-14-26(19,20)4/h15-22,24,29H,6-14H2,1-5H3/t17-,18+,19-,20+,21+,22+,24+,26-,27-/m1/s1 |
| InChIKey |
WDQFSSXKGUNISL-NFTHSDPZSA-N |
| Molecular Weight |
445.644 g/mol |
| SMILES |
OC=1C(=O)[C@]([C@]2([C@](C1)([C@@]1([C@]([C@@]3(CC[C@@]([C@]3(CC1)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(CC2)[H])[H])C)[H])(N(=O)=O)[H] |
| SPLASH |
splash10-000j-0509400000-a8ce64d68125050f4d8f |
| Source of Spectrum |
AJ-62-1110-9 |
| Synonyms |
(4alpha,5alpha)-2-hydroxy-4-nitrocholest-1-en-3-one
2-Hydroxy-4.alpha.-nitro-5.alpha.-cholest-1-en-3-one |
| Wiley ID |
1386393 |
