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Cholest-5-ene, 3,6-dichloro-, (3.beta.)-
SpectraBase Compound ID 3HgNEzD0ZLF
InChI InChI=1S/C27H44Cl2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-23H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey BAALZUYAXXGLAG-OLSNINGUSA-N
Mol Weight 439.6 g/mol
Molecular Formula C27H44Cl2
Exact Mass 438.282007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSCacwVBL2H
Name Cholest-5-ene, 3,6-dichloro-, (3.beta.)-
CAS Registry Number 115058-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44Cl2
InChI InChI=1S/C27H44Cl2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-23H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey BAALZUYAXXGLAG-OLSNINGUSA-N
Molecular Weight 439.555 g/mol
SMILES [C@]12(C(=C(Cl)C[C@@]3([C@@]2(CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@@]32[H])[H])C)[H])[H])C[C@](CC1)(Cl)[H])C
SPLASH splash10-0uk9-0000900000-a0bf7edccab72b6738e4
Source of Spectrum AJ-60-3413-10
Synonyms (3beta)-3,6-dichlorocholest-5-ene 3.beta.,6-dichloro-5-cholestene
Wiley ID 1384266