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Cholestane-2,19-diol, diacetate, (2.alpha.,5.alpha.)-
SpectraBase Compound ID G5hY9HNEsPu
InChI InChI=1S/C31H52O4/c1-20(2)8-7-9-21(3)27-14-15-28-26-13-11-24-10-12-25(35-23(5)33)18-31(24,19-34-22(4)32)29(26)16-17-30(27,28)6/h20-21,24-29H,7-19H2,1-6H3/t21-,24-,25+,26+,27-,28+,29+,30-,31-/m1/s1
InChIKey SOTJLFBDSRVFPF-PFYLSCBHSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L27SRjGfxab
Name Cholestane-2,19-diol, diacetate, (2.alpha.,5.alpha.)-
CAS Registry Number 28809-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-20(2)8-7-9-21(3)27-14-15-28-26-13-11-24-10-12-25(35-23(5)33)18-31(24,19-34-22(4)32)29(26)16-17-30(27,28)6/h20-21,24-29H,7-19H2,1-6H3/t21-,24-,25+,26+,27-,28+,29+,30-,31-/m1/s1
InChIKey SOTJLFBDSRVFPF-PFYLSCBHSA-N
Molecular Weight 488.753 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC[C@](OC(=O)C)(C1)[H])[H])[H])COC(=O)C
SPLASH splash10-0690-0009500000-24684f1c59712bd617c4
Source of Spectrum O-4-377-1
Synonyms (2alpha,5alpha)-19-(acetyloxy)cholestan-2-yl acetate 2.alpha.-acetoxy-19-acetoxymethyl-5.alpha.-cholestane 5.alpha.-cholestane-2.alpha.,19-diol, diacetate
Wiley ID 1396977