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3-Methoxycholest-5-ene

View entire compound with spectra: 3 NMR, 1 FTIR, and 4 MS (GC)

3-Methoxycholest-5-ene
SpectraBase Compound ID 98Qn5xVuoqj
InChI InChI=1S/C28H48O/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/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey RCXPTZJNVLDKKV-PXBBAZSNSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gmfp4xycu18
Name (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS Registry Number 29944-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/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/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey RCXPTZJNVLDKKV-PXBBAZSNSA-N
Molecular Weight 400.691 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0ldj-7829200000-955befdff1a0514467ea
Source of Spectrum SD-1992-0-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-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]phenanthrene 3-Methoxycholest-5-ene 3.alpha.-Cholesterol methyl ether Isocholesteryl methyl ether
Wiley ID 161067