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

*Links on SpectraBase are not permalinks.
4.alpha.-Methyl-5.alpha.-cholestan-3.beta.-yl 4-Bromobenzoate
SpectraBase Compound ID EAHY7igPr4U
InChI InChI=1S/C35H53BrO2/c1-22(2)8-7-9-23(3)28-16-17-30-27-14-15-29-24(4)32(38-33(37)25-10-12-26(36)13-11-25)19-21-35(29,6)31(27)18-20-34(28,30)5/h10-13,22-24,27-32H,7-9,14-21H2,1-6H3/t23-,24+,27?,28-,29+,30?,31?,32+,34-,35+/m1/s1
InChIKey APUKZQGPVWXSOD-IKYVTALDSA-N
Mol Weight 585.7 g/mol
Molecular Formula C35H53BrO2
Exact Mass 584.322894 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 7cKSdV9hDZz
Name 4.alpha.-Methyl-5.alpha.-cholestan-3.beta.-yl 4-Bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H53BrO2
InChI InChI=1S/C35H53BrO2/c1-22(2)8-7-9-23(3)28-16-17-30-27-14-15-29-24(4)32(38-33(37)25-10-12-26(36)13-11-25)19-21-35(29,6)31(27)18-20-34(28,30)5/h10-13,22-24,27-32H,7-9,14-21H2,1-6H3/t23-,24+,27?,28-,29+,30?,31?,32+,34-,35+/m1/s1
InChIKey APUKZQGPVWXSOD-IKYVTALDSA-N
Molecular Weight 585.711 g/mol
SMILES [C@@]12(C3C(C4CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])CC[C@]2([C@](C)([C@@](OC(c2ccc(cc2)Br)=O)(CC1)[H])[H])[H])C
SPLASH splash10-001i-1978010000-4cb84e7becb3180e99be
Source of Spectrum K1-0-3697-6
Synonyms (3beta,4alpha,5alpha)-4-methylcholestan-3-yl 4-bromobenzoate
Wiley ID 1589281