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17-(1,5-Dimethylhexyl)-4-hydroxymethylene-2,2,10,13-tetramethylhexadecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID G5yw7ysuiFW
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/h17,19-21,23-26,31H,8-16,18H2,1-7H3/b22-17-/t20-,21+,23-,24+,25?,26+,29-,30+/m1/s1
InChIKey VTTPMDPBUAWTMI-KSTPOBHTSA-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 6yLV29jZRpK
Name 17-(1,5-Dimethylhexyl)-4-hydroxymethylene-2,2,10,13-tetramethylhexadecahydrocyclopenta[a]phenanthren-3-one
CAS Registry Number 165280-39-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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/h17,19-21,23-26,31H,8-16,18H2,1-7H3/b22-17-/t20-,21+,23-,24+,25?,26+,29-,30+/m1/s1
InChIKey VTTPMDPBUAWTMI-KSTPOBHTSA-N
Molecular Weight 442.728 g/mol
SMILES O\C=C\1C2CC[C@]3([C@]4([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(C)CC[C@@]3([C@@]2(C)CC(C1=O)(C)C)[H])[H])[H]
SPLASH splash10-0006-9821400000-5ef27969f89e970bf4f0
Synonyms 4-(Hydroxymethylene)-2,2-dimethylcholestan-3-one
Wiley ID 1474739