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Cholestane-2,19-diol, 19-acetate, (2.alpha.,5.alpha.)-
SpectraBase Compound ID 6AgAsbxRcVA
InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)25-13-14-26-24-12-10-22-9-11-23(31)17-29(22,18-32-21(4)30)27(24)15-16-28(25,26)5/h19-20,22-27,31H,6-18H2,1-5H3/t20-,22-,23+,24+,25-,26+,27+,28-,29-/m1/s1
InChIKey KYQLPSJPVFECSI-FJRKYHHQSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByPSxhFgm43
Name Cholestane-2,19-diol, 19-acetate, (2.alpha.,5.alpha.)-
Alternate Name(s) (2alpha,5alpha)-2-hydroxycholestan-19-yl acetate 2.alpha.-hydroxy-19-acetoxymethyl-5.alpha.-cholestane 5.alpha.-cholestane-2.alpha.,19-diol, 19-acetate
CAS Registry Number 28809-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)25-13-14-26-24-12-10-22-9-11-23(31)17-29(22,18-32-21(4)30)27(24)15-16-28(25,26)5/h19-20,22-27,31H,6-18H2,1-5H3/t20-,22-,23+,24+,25-,26+,27+,28-,29-/m1/s1
InChIKey KYQLPSJPVFECSI-FJRKYHHQSA-N
Molecular Weight 446.716 g/mol
SMILES O[C@@]1(C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC1)[H])[H])COC(=O)C)[H]
SPLASH splash10-000i-0009100000-3b43e7608759630f9abb
Source of Spectrum O-4-377-1
Wiley ID 1386811