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3-Methoxycholestane
SpectraBase Compound ID Dr5oGmSNR1U
InChI InChI=1S/C28H50O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3
InChIKey FMSSVYNONQQPON-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C28H50O
Exact Mass 402.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CUg5uwkbCh
Name 3-Methoxycholestane
Alternate Name(s) 17-(1,5-dimethylhexyl)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 3-Methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Cholestane, 3-methoxy-, (3.beta.)- Cholestane, 3-methoxy-, (3.beta.,5.alpha.)- 3.beta.-Methoxy-5.alpha.-cholestane Cholestane, 3-methoxy-, (3.alpha.)- 5.alpha.-Cholestane, 3.beta.-methoxy- Cholestan-3.beta.-ol methyl ether Cholestanol methyl ester Dihydrocholesterol methyl ether
CAS Registry Number 58072-56-3
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Formula C28H50O
InChI InChI=1S/C28H50O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3
InChIKey FMSSVYNONQQPON-UHFFFAOYSA-N
Molecular Weight 402.707 g/mol
SMILES CC12C(C3C(CC2)C2(C)C(CC3)CC(CC2)OC)CCC1C(CCCC(C)C)C
SPLASH splash10-1001-8962300000-a9e0321ff14251b45003
Source of Spectrum SD-1981-0-0
Wiley ID 1370727