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

*Links on SpectraBase are not permalinks.

6-Bromo-4-methyl-4-azachlolest-5-en-3-one

View entire compound with spectra: 1 MS (GC)

6-Bromo-4-methyl-4-azachlolest-5-en-3-one
SpectraBase Compound ID 4DQzbloxlfy
InChI InChI=1S/C27H44BrNO/c1-17(2)8-7-9-18(3)20-10-11-21-19-16-23(28)25-27(5,15-13-24(30)29(25)6)22(19)12-14-26(20,21)4/h17-22H,7-16H2,1-6H3/t18-,19+,20-,21+,22+,26-,27-/m1/s1
InChIKey SPQBUWOCRIJPHG-OLZFZNDLSA-N
Mol Weight 478.6 g/mol
Molecular Formula C27H44BrNO
Exact Mass 477.260628 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 8b4cPwmdEla
Name 6-Bromo-4-methyl-4-azachlolest-5-en-3-one
Alternate Name(s) (4aR,4bS,6aR,7R,9aS,9bS)-11-bromo-7-[(1R)-1,5-dimethylhexyl]-1,4a,6a-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44BrNO
InChI InChI=1S/C27H44BrNO/c1-17(2)8-7-9-18(3)20-10-11-21-19-16-23(28)25-27(5,15-13-24(30)29(25)6)22(19)12-14-26(20,21)4/h17-22H,7-16H2,1-6H3/t18-,19+,20-,21+,22+,26-,27-/m1/s1
InChIKey SPQBUWOCRIJPHG-OLZFZNDLSA-N
Molecular Weight 478.559 g/mol
SMILES C1=2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2Br)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC(N1C)=O)C
SPLASH splash10-004i-0002900000-a11c1571ec6b74853267
Source of Spectrum F-52-14063-4
Wiley ID 799538