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(22R,23R,24R)-3.beta.-Acetoxy-22-bromo-23-hydroxy-24-methyl-5.alpha.-cholestan-6-one
SpectraBase Compound ID 8oEFfRJtoAm
InChI InChI=1S/C30H49BrO4/c1-16(2)17(3)28(34)27(31)18(4)22-8-9-23-21-15-26(33)25-14-20(35-19(5)32)10-12-30(25,7)24(21)11-13-29(22,23)6/h16-18,20-25,27-28,34H,8-15H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,27-,28-,29-,30-/m1/s1
InChIKey PQEICXDUWAOGET-SQRXJRJYSA-N
Mol Weight 553.6 g/mol
Molecular Formula C30H49BrO4
Exact Mass 552.281423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GApOLxa8iSf
Name (22R,23R,24R)-3.beta.-Acetoxy-22-bromo-23-hydroxy-24-methyl-5.alpha.-cholestan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H49BrO4
InChI InChI=1S/C30H49BrO4/c1-16(2)17(3)28(34)27(31)18(4)22-8-9-23-21-15-26(33)25-14-20(35-19(5)32)10-12-30(25,7)24(21)11-13-29(22,23)6/h16-18,20-25,27-28,34H,8-15H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,27-,28-,29-,30-/m1/s1
InChIKey PQEICXDUWAOGET-SQRXJRJYSA-N
Molecular Weight 553.622 g/mol
SMILES O[C@@]([C@@]([C@]([C@]1(CC[C@]2([C@@]3(CC([C@]4(C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(OC(=O)C)[H])[H])=O)[H])[H])[H])(C)[H])(Br)[H])([C@@](C(C)C)(C)[H])[H]
SPLASH splash10-0006-9000400000-9550fabce02d4512579d
Source of Spectrum F-53-17049-7
Synonyms (3beta,5alpha,22R,23R)-22-bromo-23-hydroxy-6-oxoergostan-3-yl acetate
Wiley ID 804728