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Cholesta-5,7,9(11)-trien-3.beta.-yl acetate
SpectraBase Compound ID AomsvLvskct
InChI InChI=1S/C29H44O2/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/h10-11,15,19-20,23,25-26H,7-9,12-14,16-18H2,1-6H3/t20-,23+,25-,26?,28+,29-/m1/s1
InChIKey JUBGEYIHKGKYIM-IWCQIZJXSA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H44O2
Exact Mass 424.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Huckoy4ZXNk
Name Cholesta-5,7,9(11)-trien-3.beta.-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O2
InChI InChI=1S/C29H44O2/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/h10-11,15,19-20,23,25-26H,7-9,12-14,16-18H2,1-6H3/t20-,23+,25-,26?,28+,29-/m1/s1
InChIKey JUBGEYIHKGKYIM-IWCQIZJXSA-N
Molecular Weight 424.669 g/mol
SMILES C1=2C(C3CC[C@@]([C@]3(CC2)C)([C@@](CCCC(C)C)(C)[H])[H])=CC=C2[C@@]1(CC[C@](OC(=O)C)(C2)[H])C
SPLASH splash10-08fr-0039000000-6afcea9b0d7b2d570db9
Source of Spectrum K1-2004-3529-1
Synonyms (3beta)-cholesta-5,7,9(11)-trien-3-yl acetate
Wiley ID 1561371