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Cholesta-2,4-dien-3-yl acetate
SpectraBase Compound ID mZkEXUjXMc
InChI InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,18-20,24-27H,7-13,15-17H2,1-6H3/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey PBSLMMMYXBVPTK-RQZMLCOOSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OXxgvzbyy
Name Cholesta-2,4-dien-3-yl acetate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,18-20,24-27H,7-13,15-17H2,1-6H3/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey PBSLMMMYXBVPTK-RQZMLCOOSA-N
Instrument Name Agilent Technologies 6890N-HP 5973N series
Ionization Type EI
Molecular Weight 426.685 g/mol
SMILES C(C)(=O)OC1=CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-05am-9736000000-59cfef2e04fe055be3ca
Source of Spectrum US2012202774A1
Thin-Layer Chromatography Rf = 0.8 (CyHex/EtOAc, 4:1)
Wiley ID 1845132