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2.alpha.-Bromo-1.alpha.,4,4-trimethyl-5.alpha.-cholestan-3-one
SpectraBase Compound ID J1gZsDUlDnn
InChI InChI=1S/C30H51BrO/c1-18(2)10-9-11-19(3)22-13-14-23-21-12-15-25-28(5,6)27(32)26(31)20(4)30(25,8)24(21)16-17-29(22,23)7/h18-26H,9-17H2,1-8H3/t19-,20+,21+,22-,23+,24+,25+,26-,29-,30-/m1/s1
InChIKey ACQHQEJHZBMVEV-RXDFNMKNSA-N
Mol Weight 507.6 g/mol
Molecular Formula C30H51BrO
Exact Mass 506.312329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dSNlIXmU4
Name 2.alpha.-Bromo-1.alpha.,4,4-trimethyl-5.alpha.-cholestan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H51BrO
InChI InChI=1S/C30H51BrO/c1-18(2)10-9-11-19(3)22-13-14-23-21-12-15-25-28(5,6)27(32)26(31)20(4)30(25,8)24(21)16-17-29(22,23)7/h18-26H,9-17H2,1-8H3/t19-,20+,21+,22-,23+,24+,25+,26-,29-,30-/m1/s1
InChIKey ACQHQEJHZBMVEV-RXDFNMKNSA-N
Molecular Weight 507.641 g/mol
SMILES [C@@]12([C@](C(C)(C)C([C@@]([C@@]2(C)[H])(Br)[H])=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C
SPLASH splash10-069u-9000310000-3c4ae13496c9cc052f70
Source of Spectrum KC-1992-1853-14
Synonyms (1alpha,2alpha,5alpha)-2-bromo-1,4,4-trimethylcholestan-3-one
Wiley ID 776572