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(1R,4aR,4bR,7S,9S,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-9-((4-(trifluoromethyl)phenyl)-amino)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthrene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1R,4aR,4bR,7S,9S,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-9-((4-(trifluoromethyl)phenyl)-amino)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthrene-1-carboxylate
SpectraBase Compound ID 1nEmMH1aFWW
InChI InChI=1S/C28H38F3NO2/c1-6-25(2)15-12-21-20(17-25)22(32-19-10-8-18(9-11-19)28(29,30)31)16-23-26(21,3)13-7-14-27(23,4)24(33)34-5/h8-11,17,21-23,32H,6-7,12-16H2,1-5H3/t21-,22-,23+,25-,26+,27+/m0/s1
InChIKey IZRIEPXYCYWYJZ-QPXIQXPMSA-N
Mol Weight 477.6 g/mol
Molecular Formula C28H38F3NO2
Exact Mass 477.285464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eKLAP4eTYO
Name (1R,4aR,4bR,7S,9S,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-9-((4-(trifluoromethyl)phenyl)-amino)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38F3NO2
InChI InChI=1S/C28H38F3NO2/c1-6-25(2)15-12-21-20(17-25)22(32-19-10-8-18(9-11-19)28(29,30)31)16-23-26(21,3)13-7-14-27(23,4)24(33)34-5/h8-11,17,21-23,32H,6-7,12-16H2,1-5H3/t21-,22-,23+,25-,26+,27+/m0/s1
InChIKey IZRIEPXYCYWYJZ-QPXIQXPMSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 477.612 g/mol
SMILES N([C@@]1(C2=C[C@](CC[C@@]2([C@]2(CCC[C@@]([C@@]2(C1)[H])(C)C(=O)OC)C)[H])(CC)C)[H])c1ccc(cc1)C(F)(F)F
SPLASH splash10-0a4i-9141200000-22f9aa1db37c3aa7212d
Source of Spectrum CHO-5-65/SM11-35
Synonyms Methyl (1R,4aR,4bR,7S,9S,10aR)-7-ethyl-1,4a,7-trimethyl-9-((4-(trifluoromethyl)phenyl)amino)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808476