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A-homo-4-seco-6-nitro-4-methyl-4-formyl-4-azacholestan-3-one
SpectraBase Compound ID DBGml0dZNvh
InChI InChI=1S/C28H48N2O4/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25(30(33)34)28(5,17-15-26(32)29(6)18-31)24(21)14-16-27(22,23)4/h18-25H,7-17H2,1-6H3/t20-,21?,22-,23?,24?,25-,27-,28-/m1/s1
InChIKey UURAQSBMSQXVOV-YIBKWANPSA-N
Mol Weight 476.7 g/mol
Molecular Formula C28H48N2O4
Exact Mass 476.361408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPPSnCFmq
Name A-homo-4-seco-6-nitro-4-methyl-4-formyl-4-azacholestan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48N2O4
InChI InChI=1S/C28H48N2O4/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25(30(33)34)28(5,17-15-26(32)29(6)18-31)24(21)14-16-27(22,23)4/h18-25H,7-17H2,1-6H3/t20-,21?,22-,23?,24?,25-,27-,28-/m1/s1
InChIKey UURAQSBMSQXVOV-YIBKWANPSA-N
Molecular Weight 476.702 g/mol
SMILES [C@@]12(C(C3CC[C@@](N(=O)=O)([C@@](C3CC2)(CCC(N(C=O)C)=O)C)[H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-02t9-8007900000-f548c0ad3b5e089452b7
Source of Spectrum F-53-10573-5
Synonyms 3-{(3R,3aR,6R,7R)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-7-nitrododecahydro-1H-cyclopenta[a]naphthalen-6-yl}-N-formyl-N-methylpropanamide
Wiley ID 803169