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Cholestane-1,19-diol, diacetate, (1.alpha.,5.alpha.)-
SpectraBase Compound ID EK3sSI7Dr1y
InChI InChI=1S/C31H52O4/c1-20(2)9-7-10-21(3)26-15-16-27-25-14-13-24-11-8-12-29(35-23(5)33)31(24,19-34-22(4)32)28(25)17-18-30(26,27)6/h20-21,24-29H,7-19H2,1-6H3/t21-,24-,25+,26-,27+,28+,29+,30-,31+/m1/s1
InChIKey UFIVDNBADMWFRS-FASAFFAUSA-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 G81lOTcBArS
Name Cholestane-1,19-diol, diacetate, (1.alpha.,5.alpha.)-
Alternate Name(s) (1alpha,5alpha)-1-(acetyloxy)cholestan-19-yl acetate 1.alpha.-acetoxy-19-acetoxymethyl-5.alpha.-cholestane 5.alpha.-cholestane-1.alpha.,19-diol, diacetate
CAS Registry Number 28809-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-20(2)9-7-10-21(3)26-15-16-27-25-14-13-24-11-8-12-29(35-23(5)33)31(24,19-34-22(4)32)28(25)17-18-30(26,27)6/h20-21,24-29H,7-19H2,1-6H3/t21-,24-,25+,26-,27+,28+,29+,30-,31+/m1/s1
InChIKey UFIVDNBADMWFRS-FASAFFAUSA-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(CCC[C@@]1(OC(=O)C)[H])[H])[H])COC(=O)C
SPLASH splash10-014i-0009300000-8900c70f22cbe35466cc
Source of Spectrum O-4-377-2
Wiley ID 1396978