| SpectraBase Spectrum ID |
B2e2mh2SJv6 |
| Name |
Cholest-4-ene, 6-nitro-, (6.beta.)- |
| CAS Registry Number |
1982-70-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45NO2 |
| InChI |
InChI=1S/C27H45NO2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28(29)30)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23,25H,6-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,25-,26-,27-/m1/s1 |
| InChIKey |
KZOROHLNHZDSDQ-ZLLXVZCVSA-N |
| Molecular Weight |
415.662 g/mol |
| SMILES |
C=12[C@]([C@]3(CC[C@]4([C@]([C@@]3(C[C@]2(N(=O)=O)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C)CCCC1 |
| SPLASH |
splash10-00xr-0009000000-3824f40aad32e81ca363 |
| Source of Spectrum |
B-31-111-0 |
| Synonyms |
Cholest-4-ene, 6.beta.-nitro-
(6beta)-6-nitrocholest-4-ene
6.beta.-nitrocholest-4-ene |
| Wiley ID |
1376088 |
