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Cholest-2-ene, 3-bromo-4,4-dimethyl-, (5.alpha.)-

View entire compound with spectra: 1 MS (GC)

Cholest-2-ene, 3-bromo-4,4-dimethyl-, (5.alpha.)-
SpectraBase Compound ID DwYkq2BGUEc
InChI InChI=1S/C29H49Br/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h16,19-25H,8-15,17-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1
InChIKey YVBDBRSIXDRCLY-YLFAAKNDSA-N
Mol Weight 477.6 g/mol
Molecular Formula C29H49Br
Exact Mass 476.301765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGmfNRPFJY3
Name Cholest-2-ene, 3-bromo-4,4-dimethyl-, (5.alpha.)-
Alternate Name(s) (5alpha)-3-bromo-4,4-dimethylcholest-2-ene 3-Bromo-4,4-dimethyl-5.alpha.-cholest-2-ene
CAS Registry Number 104461-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49Br
InChI InChI=1S/C29H49Br/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h16,19-25H,8-15,17-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1
InChIKey YVBDBRSIXDRCLY-YLFAAKNDSA-N
Molecular Weight 477.615 g/mol
SMILES [C@@]12([C@](C(C)(C)C(=CC2)Br)(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 splash10-00vj-0029600000-fa3c0a9a27b6229ed51e
Source of Spectrum B-38-1516-40
Wiley ID 1394418