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(1R,4aS)-1,4a-Dimethyl-7-[(4-nitro-phenyl)-phenyl-amino]-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1R,4aS)-1,4a-Dimethyl-7-[(4-nitro-phenyl)-phenyl-amino]-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID 8zVdYaS56Sp
InChI InChI=1S/C30H32N2O4/c1-29-18-7-19-30(2,28(33)36-3)27(29)17-10-21-20-25(15-16-26(21)29)31(22-8-5-4-6-9-22)23-11-13-24(14-12-23)32(34)35/h4-6,8-9,11-16,20,27H,7,10,17-19H2,1-3H3/t27?,29-,30-/m1/s1
InChIKey NQSPKPJNAIJQPV-APHJAUFXSA-N
Mol Weight 484.6 g/mol
Molecular Formula C30H32N2O4
Exact Mass 484.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID T4eq1HBZaJ
Name (1R,4aS)-1,4a-Dimethyl-7-[(4-nitro-phenyl)-phenyl-amino]-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32N2O4
InChI InChI=1S/C30H32N2O4/c1-29-18-7-19-30(2,28(33)36-3)27(29)17-10-21-20-25(15-16-26(21)29)31(22-8-5-4-6-9-22)23-11-13-24(14-12-23)32(34)35/h4-6,8-9,11-16,20,27H,7,10,17-19H2,1-3H3/t27?,29-,30-/m1/s1
InChIKey NQSPKPJNAIJQPV-APHJAUFXSA-N
Molecular Weight 484.596 g/mol
SMILES [C@@]12(C([C@@](C(=O)OC)(C)CCC2)CCc2c1ccc(N(c1ccc(N(=O)=O)cc1)c1ccccc1)c2)C
SPLASH splash10-001i-0000900000-fc5dcd0cb4f88fe3cbd1
Source of Spectrum C3-33-884-9
Synonyms Methyl 1,4a-dimethyl-7-(phenylamino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate Methyl 13-[(p-nitrophenyl)phenylamino]-(de-isopropyl)-dehydroabietate
Wiley ID 1696345