For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DwVw2ukyvb5
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(CC[C@]2([C@@]3(CCC4=C(C(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)Br)[H])[H])[H])=O)C(C)(C)C
SPLASH splash10-00dj-7435900000-d34380c24443f41e059d
Source of Spectrum E1-38-1460-3
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 1598334