| SpectraBase Spectrum ID |
8BzolHUizvT |
| Name |
Cholest-2-ene, 4,4-dimethyl-3-nitro-, (5.alpha.)- |
| CAS Registry Number |
104461-30-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H49NO2 |
| InChI |
InChI=1S/C29H49NO2/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30(31)32)16-18-29(25,7)24(21)15-17-28(22,23)6/h16,19-25H,8-15,17-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1 |
| InChIKey |
CCIHJUPPHZWBEJ-YLFAAKNDSA-N |
| Molecular Weight |
443.716 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)C(=CC2)N(=O)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C |
| SPLASH |
splash10-0007-0040900000-da1a4bc4b393dcb12ece |
| Source of Spectrum |
B-38-1517-27 |
| Synonyms |
(5alpha)-4,4-dimethyl-3-nitrocholest-2-ene
4,4-Dimethyl-3-nitro-5.alpha.-cholest-2-ene
4,4-Dimethyl-3.beta.-nitro-5.alpha.-cholestane |
| Wiley ID |
1385793 |
