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4-Bromo-17-(1,5-dimethylhexyl)-2,2,10,13-tetramethylhexadecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID KjPCKCUUbYd
InChI InChI=1S/C29H49BrO/c1-18(2)9-8-10-19(3)21-13-14-22-20-11-12-24-25(30)26(31)27(4,5)17-29(24,7)23(20)15-16-28(21,22)6/h18-25H,8-17H2,1-7H3
InChIKey NFDGQNURTNDJTL-UHFFFAOYSA-N
Mol Weight 493.6 g/mol
Molecular Formula C29H49BrO
Exact Mass 492.296679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tjmeBAxlQX
Name 4-BROMO-17-(1,5-DIMETHYL-HEXYL)-2,2,10,13-TETRAMETHYLHEXADECAHYDROCYCLOPENTA[a]PHENANTHREN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H49BrO
InChI InChI=1S/C29H49BrO/c1-18(2)9-8-10-19(3)21-13-14-22-20-11-12-24-25(30)26(31)27(4,5)17-29(24,7)23(20)15-16-28(21,22)6/h18-25H,8-17H2,1-7H3
InChIKey NFDGQNURTNDJTL-UHFFFAOYSA-N
Molecular Weight 492.2954
SMILES C12CCC3(C(C(C)CCCC(C)C)CCC3C2CCC2C(Br)C(=O)C(C)(C)CC12C)C
SPLASH splash10-0a5c-9622100000-30c431f1204fd3573957
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany