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(8S,9S,10R,13S,14S,17S)-3-Bromo-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid tert-butylamide

View entire compound with spectra: 1 MS (GC)

(8S,9S,10R,13S,14S,17S)-3-Bromo-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid tert-butylamide
SpectraBase Compound ID HK9Flgaazb6
InChI InChI=1S/C24H36BrNO/c1-22(2,3)26-21(27)20-9-8-18-17-7-6-15-14-16(25)10-12-23(15,4)19(17)11-13-24(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)/t17-,18-,19-,20+,23-,24-/m0/s1
InChIKey WYQFEYHEDRLWEN-ZEQQQVMLSA-N
Mol Weight 434.5 g/mol
Molecular Formula C24H36BrNO
Exact Mass 433.198028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UrCQxtRQG
Name (8S,9S,10R,13S,14S,17S)-3-Bromo-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid tert-butylamide
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Formula C24H36BrNO
InChI InChI=1S/C24H36BrNO/c1-22(2,3)26-21(27)20-9-8-18-17-7-6-15-14-16(25)10-12-23(15,4)19(17)11-13-24(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)/t17-,18-,19-,20+,23-,24-/m0/s1
InChIKey WYQFEYHEDRLWEN-ZEQQQVMLSA-N
Molecular Weight 434.462 g/mol
SMILES N(C([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(Br)=C4)C)[H])(CC1)[H])C)[H])=O)C(C)(C)C
SPLASH splash10-0019-0011900000-2e9f080134f839ab54a3
Source of Spectrum G2-4-59-10
Synonyms (N-1',1'-Dimethylethyl)-3-bromoandrost-3,5-diene-17.beta.carboxylate (8S,9S,10R,13S,14S,17S)-3-bromanyl-N-tert-butyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
Wiley ID 1661634