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3,4-seco-6-Bromo-4-methyl-4-azachlolest-6-en-3,5-dione
SpectraBase Compound ID 6PHSb0dHrO2
InChI InChI=1S/C27H44BrNO2/c1-17(2)8-7-9-18(3)20-10-11-21-19-16-23(28)25(31)27(5,15-13-24(30)29-6)22(19)12-14-26(20,21)4/h16-22H,7-15H2,1-6H3,(H,29,30)/t18-,19+,20-,21+,22+,26-,27-/m1/s1
InChIKey VHCCYNBKDMEDDR-OLZFZNDLSA-N
Mol Weight 494.6 g/mol
Molecular Formula C27H44BrNO2
Exact Mass 493.255543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwinH5GN266
Name 3,4-seco-6-Bromo-4-methyl-4-azachlolest-6-en-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44BrNO2
InChI InChI=1S/C27H44BrNO2/c1-17(2)8-7-9-18(3)20-10-11-21-19-16-23(28)25(31)27(5,15-13-24(30)29-6)22(19)12-14-26(20,21)4/h16-22H,7-15H2,1-6H3,(H,29,30)/t18-,19+,20-,21+,22+,26-,27-/m1/s1
InChIKey VHCCYNBKDMEDDR-OLZFZNDLSA-N
Molecular Weight 494.558 g/mol
SMILES N(C(CC[C@@]1([C@]2(CC[C@]3([C@]([C@@]2(C=C(Br)C1=O)[H])(CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)=O)C
SPLASH splash10-01p9-4000900000-89564f2f255b400ce592
Source of Spectrum F-52-14063-5
Synonyms 3-{(3R,3aR,5aS,6R,9aS,9bS)-8-bromo-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-7-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl}-N-methylpropanamide
Wiley ID 799537