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1-Cholestene

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1-Cholestene
SpectraBase Compound ID 2UybKAlnZbs
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h7,17,19-25H,6,8-16,18H2,1-5H3
InChIKey MRKRQGONFROXPO-UHFFFAOYSA-N
Mol Weight 370.7 g/mol
Molecular Formula C27H46
Exact Mass 370.359951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2chZeG13E9S
Name 17-(1,5-Dimethylhexyl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthrene
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Formula C27H46
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h7,17,19-25H,6,8-16,18H2,1-5H3
InChIKey MRKRQGONFROXPO-UHFFFAOYSA-N
Molecular Weight 370.665 g/mol
SMILES C1C2CCC3C4C(CCC3C2(C=CC1)C)(C(CC4)C(CCCC(C)C)C)C
SPLASH splash10-0a4i-9611000000-cdce8ff616dc11899364
Synonyms 1-Cholestene 10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene 17-(1,5-dimethylhexyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene Cholest-1-ene
Wiley ID 1475230