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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
SpectraBase Compound ID 7cbFLwhZdq
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/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey MRKRQGONFROXPO-LDHZKLTISA-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 HNiY1nzz8p0
Name 17-(1,5-DIMETHYL-HEXYL)-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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Exact Mass 370.359951481 u
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/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey MRKRQGONFROXPO-LDHZKLTISA-N
Molecular Weight 370.665 g/mol
Nominal Mass 370 u
Number of Peaks 297
SMILES C1C=C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-0a4i-9611000000-bb2b2339e556a76fc065
Source File Reference LMCM-44807-387H
Synonyms (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-3-ene CHOLEST-1-ENE
Wiley ID 8_8564