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(1R,4aR,4bR,7S,8S,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-8-((4-nitro-phenyl)amino)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1R,4aR,4bR,7S,8S,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-8-((4-nitro-phenyl)amino)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
SpectraBase Compound ID 8McgqCJsV1S
InChI InChI=1S/C27H38N2O4/c1-6-25(2)17-14-21-20(23(25)28-18-8-10-19(11-9-18)29(31)32)12-13-22-26(21,3)15-7-16-27(22,4)24(30)33-5/h8-12,21-23,28H,6-7,13-17H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1
InChIKey USZAHIXMIKMGME-ZHSJGXMJSA-N
Mol Weight 454.6 g/mol
Molecular Formula C27H38N2O4
Exact Mass 454.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2ZVzuxKBLZ
Name (1R,4aR,4bR,7S,8S,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-8-((4-nitro-phenyl)amino)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38N2O4
InChI InChI=1S/C27H38N2O4/c1-6-25(2)17-14-21-20(23(25)28-18-8-10-19(11-9-18)29(31)32)12-13-22-26(21,3)15-7-16-27(22,4)24(30)33-5/h8-12,21-23,28H,6-7,13-17H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1
InChIKey USZAHIXMIKMGME-ZHSJGXMJSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 454.611 g/mol
SMILES N([C@]1([C@](CC[C@@]2([C@]3(CCC[C@@]([C@@]3(CC=C12)[H])(C)C(=O)OC)C)[H])(CC)C)[H])c1ccc(cc1)[N+]([O-])=O
SPLASH splash10-0aor-2394100000-cf06fdcfe2bdb0753c93
Source of Spectrum CHO-5-65/SM6-11
Synonyms Methyl (1R,4aR,4bR,7S,8S,10aR)-7-ethyl-1,4a,7-trimethyl-8-((4-nitrophenyl)amino)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808460