For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
A-homo-4-seco-6-nitro-4-methyl-4-azacholestan-3-one
SpectraBase Compound ID HhrAOGEjve2
InChI InChI=1S/C27H48N2O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24(29(31)32)27(5,17-15-25(30)28-6)23(20)14-16-26(21,22)4/h18-24H,7-17H2,1-6H3,(H,28,30)/t19-,20?,21-,22?,23?,24+,26-,27-/m1/s1
InChIKey QXVGGQZKFHRQEB-BTXKELRASA-N
Mol Weight 448.7 g/mol
Molecular Formula C27H48N2O3
Exact Mass 448.366493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FYjo7Wn97bp
Name A-homo-4-seco-6-nitro-4-methyl-4-azacholestan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48N2O3
InChI InChI=1S/C27H48N2O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24(29(31)32)27(5,17-15-25(30)28-6)23(20)14-16-26(21,22)4/h18-24H,7-17H2,1-6H3,(H,28,30)/t19-,20?,21-,22?,23?,24+,26-,27-/m1/s1
InChIKey QXVGGQZKFHRQEB-BTXKELRASA-N
Molecular Weight 448.692 g/mol
SMILES N(C(CC[C@@]1(C2CC[C@]3(C(C2CC[C@@]1(N(=O)=O)[H])CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])C)C)=O)C
SPLASH splash10-000i-9010500000-65022b543ab29698f856
Source of Spectrum F-53-10573-6
Synonyms 3-{(3R,3aR,6R,7S)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-7-nitrododecahydro-1H-cyclopenta[a]naphthalen-6-yl}-N-methylpropanamide
Wiley ID 803165