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(1R,4aR,4bR,7S,8S,10aR)-Methyl 8-((2-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-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 8-((2-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
SpectraBase Compound ID IilM4WEqjSn
InChI InChI=1S/C27H38BrNO2/c1-6-25(2)16-13-21-20(23(25)29-19-10-7-9-18(28)17-19)11-12-22-26(21,3)14-8-15-27(22,4)24(30)31-5/h7,9-11,17,21-23,29H,6,8,12-16H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1
InChIKey LDZCHNIJJBPBFS-ZHSJGXMJSA-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 DzTDd66ljGW
Name (1R,4aR,4bR,7S,8S,10aR)-Methyl 8-((2-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-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 C27H38BrNO2
InChI InChI=1S/C27H38BrNO2/c1-6-25(2)16-13-21-20(23(25)29-19-10-7-9-18(28)17-19)11-12-22-26(21,3)14-8-15-27(22,4)24(30)31-5/h7,9-11,17,21-23,29H,6,8,12-16H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1
InChIKey LDZCHNIJJBPBFS-ZHSJGXMJSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 488.510 g/mol
SMILES N([C@]1([C@](CC[C@@]2([C@@]3([C@]([C@](CCC3)(C)C(=O)OC)(CC=C12)[H])C)[H])(CC)C)[H])c1cc(ccc1)Br
SPLASH splash10-0a4i-0293300000-b9ea14c554ebcd7503f5
Source of Spectrum CHO-5-65/SM8-30
Synonyms Methyl (1R,4aR,4bR,7S,8S,10aR)-8-((3-bromophenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808472