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(1R,4aR,4bR,7S,9S,10aR)-Methyl 9-(4-amino-3-bromophenyl)-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-(4-amino-3-bromophenyl)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
SpectraBase Compound ID 8yQ3I7dMnJx
InChI InChI=1S/C27H38BrNO2/c1-6-25(2)13-10-20-19(16-25)18(17-8-9-22(29)21(28)14-17)15-23-26(20,3)11-7-12-27(23,4)24(30)31-5/h8-9,14,16,18,20,23H,6-7,10-13,15,29H2,1-5H3/t18-,20-,23+,25-,26+,27+/m0/s1
InChIKey VMJMENKHRCFLTB-XDRUPQFKSA-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 2hqHtEgGJ6x
Name (1R,4aR,4bR,7S,9S,10aR)-Methyl 9-(4-amino-3-bromophenyl)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38BrNO2
InChI InChI=1S/C27H38BrNO2/c1-6-25(2)13-10-20-19(16-25)18(17-8-9-22(29)21(28)14-17)15-23-26(20,3)11-7-12-27(23,4)24(30)31-5/h8-9,14,16,18,20,23H,6-7,10-13,15,29H2,1-5H3/t18-,20-,23+,25-,26+,27+/m0/s1
InChIKey VMJMENKHRCFLTB-XDRUPQFKSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 488.510 g/mol
SMILES Nc1c(cc(cc1)[C@]1(C2=C[C@](CC[C@@]2([C@@]2([C@]([C@](CCC2)(C)C(=O)OC)(C1)[H])C)[H])(CC)C)[H])Br
SPLASH splash10-0081-2931100000-3d9475221f80d2a0b47e
Source of Spectrum CHO-5-65/SM8-29
Synonyms Methyl (1R,4aR,4bR,7S,9R,10aR)-9-(4-amino-3-bromophenyl)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808471