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(8S,9S,10R,13S,14S,17S)-4-bromanyl-N-tert-butyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide

View entire compound with spectra: 2 MS (GC)

(8S,9S,10R,13S,14S,17S)-4-bromanyl-N-tert-butyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
SpectraBase Compound ID BDVkxrVuqT1
InChI InChI=1S/C24H36BrNO2/c1-22(2,3)26-21(28)18-9-8-15-14-6-7-17-20(25)19(27)11-13-23(17,4)16(14)10-12-24(15,18)5/h14-16,18H,6-13H2,1-5H3,(H,26,28)/t14-,15-,16-,18+,23+,24-/m0/s1
InChIKey GHJXFJCQGJYQDK-AULVAYGLSA-N
Mol Weight 450.5 g/mol
Molecular Formula C24H36BrNO2
Exact Mass 449.192942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MWdnPagMhT
Name (8S,9S,10R,13S,14S,17S)-4-bromanyl-N-tert-butyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36BrNO2
InChI InChI=1S/C24H36BrNO2/c1-22(2,3)26-21(28)18-9-8-15-14-6-7-17-20(25)19(27)11-13-23(17,4)16(14)10-12-24(15,18)5/h14-16,18H,6-13H2,1-5H3,(H,26,28)/t14-,15-,16-,18+,23+,24-/m0/s1
InChIKey GHJXFJCQGJYQDK-AULVAYGLSA-N
Molecular Weight 450.461 g/mol
SMILES N(C([C@@]1([C@]2(CC[C@@]3([C@@]4(C(=C(Br)C(CC4)=O)CC[C@]3([C@@]2(CC1)[H])[H])C)[H])C)[H])=O)C(C)(C)C
SPLASH splash10-0ap0-6039200000-2dcdd151a50892e89b6c
Source of Spectrum KC-0-1141-2
Synonyms (8S,9S,10R,13S,14S,17S)-4-bromo-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide (8S,9S,10R,13S,14S,17S)-4-bromo-N-tert-butyl-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
Wiley ID 824642