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17-(1,5-Dimethylhexyl)-4-hydroxymethylene-2,2,10,13-tetramethylhexadecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID HtrTy5rJR5H
InChI InChI=1S/C30H50O2/c1-19(2)9-8-10-20(3)23-13-14-24-21-11-12-25-22(17-31)27(32)28(4,5)18-30(25,7)26(21)15-16-29(23,24)6/h17,19-26H,8-16,18H2,1-7H3/t20-,21+,22?,23-,24+,25?,26+,29-,30+/m1/s1
InChIKey FIHCSBPHDAVGCB-CWEXUBDWSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hg2i7uM09dx
Name 17-(1,5-DIMETHYL-HEXYL)-4-HYDROXYMETHYLENE-2,2,10,13-TETRAMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
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Exact Mass 442.381080848 u
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19(2)9-8-10-20(3)23-13-14-24-21-11-12-25-22(17-31)27(32)28(4,5)18-30(25,7)26(21)15-16-29(23,24)6/h17,19-26H,8-16,18H2,1-7H3/t20-,21+,22?,23-,24+,25?,26+,29-,30+/m1/s1
InChIKey FIHCSBPHDAVGCB-CWEXUBDWSA-N
Molecular Weight 442.728 g/mol
Nominal Mass 442 u
Number of Peaks 302
SMILES C1(C(C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1C=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)(C)C)=O
SPLASH splash10-0006-9821400000-98c8c121fb7cfc2950bf
Source File Reference LMCM-78766-253X
Synonyms (1S,2R,10S,11S,14R,15R)-2,4,4,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-6-carbaldehyde 2,2-DIMETHYL-3-OXOCHOLESTANE-4-CARBALDEHYDE
Wiley ID 8_8073