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Cholest-5-ene-1,3-diol, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-, (1.alpha.,3.alpha.)-
SpectraBase Compound ID KQbhR8veaMn
InChI InChI=1S/C32H54O4/c1-21(9-8-16-30(2,3)36-29-10-6-7-18-35-29)25-13-14-26-24-12-11-22-19-23(33)20-28(34)32(22,5)27(24)15-17-31(25,26)4/h11,21,23-29,33-34H,6-10,12-20H2,1-5H3/t21-,23+,24+,25-,26+,27+,28+,29?,31-,32+/m1/s1
InChIKey FGCNFKAYEALMPG-QBNVPYNMSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69C5TTzDjDI
Name Cholest-5-ene-1,3-diol, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-, (1.alpha.,3.alpha.)-
Alternate Name(s) (1alpha,3alpha)-25-(tetrahydro-2H-pyran-2-yloxy)cholest-5-ene-1,3-diol 25-(tetrahydro-2H-pyran-2-yl)oxy-5-cholesten-1.alpha.,3.alpha.-diol
CAS Registry Number 80239-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-21(9-8-16-30(2,3)36-29-10-6-7-18-35-29)25-13-14-26-24-12-11-22-19-23(33)20-28(34)32(22,5)27(24)15-17-31(25,26)4/h11,21,23-29,33-34H,6-10,12-20H2,1-5H3/t21-,23+,24+,25-,26+,27+,28+,29?,31-,32+/m1/s1
InChIKey FGCNFKAYEALMPG-QBNVPYNMSA-N
Molecular Weight 502.780 g/mol
SMILES O[C@]1(C[C@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(OC1OCCCC1)(C)C)(C)[H])[H])C)[H])C)(O)[H])[H]
SPLASH splash10-05o0-9015000000-e59ff73cd943f75683e3
Source of Spectrum H-64-1881-0
Wiley ID 1399325