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

View entire compound with spectra: 1 MS (GC)

(1R,4aR,4bR,7S,9S,10aR)-Methyl 9-((2-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
SpectraBase Compound ID JlSimflmGN9
InChI InChI=1S/C27H38BrNO2/c1-6-25(2)15-12-19-18(17-25)22(29-21-11-8-7-10-20(21)28)16-23-26(19,3)13-9-14-27(23,4)24(30)31-5/h7-8,10-11,17,19,22-23,29H,6,9,12-16H2,1-5H3/t19-,22-,23+,25-,26+,27+/m0/s1
InChIKey HPSIYYMJDIEGHD-HTIVJNHHSA-N
Mol Weight 488.5 g/mol
Molecular Formula C27H38BrNO2
Exact Mass 487.208592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JB2eykUosd
Name (1R,4aR,4bR,7S,9S,10aR)-Methyl 9-((2-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Alternate Name(s) Methyl (1R,4aR,4bR,7S,9S,10aR)-9-((2-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
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Formula C27H38BrNO2
InChI InChI=1S/C27H38BrNO2/c1-6-25(2)15-12-19-18(17-25)22(29-21-11-8-7-10-20(21)28)16-23-26(19,3)13-9-14-27(23,4)24(30)31-5/h7-8,10-11,17,19,22-23,29H,6,9,12-16H2,1-5H3/t19-,22-,23+,25-,26+,27+/m0/s1
InChIKey HPSIYYMJDIEGHD-HTIVJNHHSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 488.510 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])c1c(cccc1)Br
SPLASH splash10-0cdu-4951100000-c3f73808fe9a506583af
Source of Spectrum CHO-5-65/SM9-31
Wiley ID 1808473