| SpectraBase Spectrum ID |
3XqVCGwFge |
| Name |
1.alpha.,2.alpha.-(Nitromethylene)-3-oxocholestane |
| Alternate Name(s) |
(2aS,3S,3aS,3cS,5aR,6R,8aS,8bS,10aS)-6-[(1R)-1,5-dimethylhexyl]-3b,5a-dimethyl-3-nitrohexadecahydrocyclopenta[a]cyclopropa[g]phenanthren-2(1H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H45NO3 |
| InChI |
InChI=1S/C28H45NO3/c1-16(2)7-6-8-17(3)20-11-12-21-19-10-9-18-15-23(30)24-25(26(24)29(31)32)28(18,5)22(19)13-14-27(20,21)4/h16-22,24-26H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22+,24+,25-,26?,27-,28?/m1/s1 |
| InChIKey |
VZGQUXYFWIDHDT-RNENWAMZSA-N |
| Molecular Weight |
443.672 g/mol |
| SMILES |
[C@@]12([C@@](C3([C@@]4([C@@]([C@@]5(CC[C@@]([C@]5(CC4)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]3(CC2=O)[H])[H])C)(C1N(=O)=O)[H])[H] |
| SPLASH |
splash10-000f-0080900000-bbd6f5f0c3b6d1775891 |
| Source of Spectrum |
SO-1976-814-8 |
| Wiley ID |
1536906 |
