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Cholest-2-eno[3,2-b]naphthalene, 5'-nitro-
SpectraBase Compound ID CjOeqt4LKZD
InChI InChI=1S/C35H49NO2/c1-22(2)8-6-9-23(3)30-14-15-31-28-13-12-27-19-25-18-24-10-7-11-33(36(37)38)29(24)20-26(25)21-35(27,5)32(28)16-17-34(30,31)4/h7,10-11,18,20,22-23,27-28,30-32H,6,8-9,12-17,19,21H2,1-5H3
InChIKey JEXDYQHNFKXLFP-UHFFFAOYSA-N
Mol Weight 515.8 g/mol
Molecular Formula C35H49NO2
Exact Mass 515.37633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdDV63gPZRb
Name Cholest-2-eno[3,2-b]naphthalene, 5'-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H49NO2
InChI InChI=1S/C35H49NO2/c1-22(2)8-6-9-23(3)30-14-15-31-28-13-12-27-19-25-18-24-10-7-11-33(36(37)38)29(24)20-26(25)21-35(27,5)32(28)16-17-34(30,31)4/h7,10-11,18,20,22-23,27-28,30-32H,6,8-9,12-17,19,21H2,1-5H3
InChIKey JEXDYQHNFKXLFP-UHFFFAOYSA-N
Molecular Weight 515.782 g/mol
SMILES C12C3(Cc4cc5c(cc4CC3CCC1C1C(CC2)(C)C(C(CCCC(C)C)C)CC1)cccc5N(=O)=O)C
SPLASH splash10-066u-9542020000-0d806b99f93536e3404c
Synonyms 1-(1,5-Dimethylhexyl)-13a,15a-dimethyl-11-nitro-2,3,3a,3b,4,5,5a,6,13,13a,13b,14,15,15a-tetradecahydro-1H-indeno[5,4-a]naphthacene
Wiley ID 1474857