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Cholestery-2-tetrahydropyran
SpectraBase Compound ID FlXTvpwFAQ5
InChI InChI=1S/C32H54O2/c1-22(2)9-8-10-23(3)27-14-15-28-26-13-12-24-21-25(34-30-11-6-7-20-33-30)16-18-31(24,4)29(26)17-19-32(27,28)5/h12,22-23,25-30H,6-11,13-21H2,1-5H3/t23-,25?,26+,27-,28+,29+,30?,31+,32-/m1/s1
InChIKey JTBDYRSHSZVOOZ-CJTOWZGVSA-N
Mol Weight 470.8 g/mol
Molecular Formula C32H54O2
Exact Mass 470.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTt8PR1wchr
Name Cholestery-2-tetrahydropyran
Alternate Name(s) 2-[[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane
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Formula C32H54O2
InChI InChI=1S/C32H54O2/c1-22(2)9-8-10-23(3)27-14-15-28-26-13-12-24-21-25(34-30-11-6-7-20-33-30)16-18-31(24,4)29(26)17-19-32(27,28)5/h12,22-23,25-30H,6-11,13-21H2,1-5H3/t23-,25?,26+,27-,28+,29+,30?,31+,32-/m1/s1
InChIKey JTBDYRSHSZVOOZ-CJTOWZGVSA-N
Molecular Weight 470.782 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(OC2OCCCC2)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-01b9-9008000000-026621d493af56250b1c
Source of Spectrum KC-57-5998-9
Wiley ID 1625011