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4'.alpha.-(2"-ketobutyl cyclohexyl) 20.alpha.-eicosan-14.alpha.-ol-1-oic acid
SpectraBase Compound ID BB8Pj8wqRBi
InChI InChI=1S/C30H56O4/c1-2-28(31)25-27-23-21-26(22-24-27)17-13-11-12-15-19-29(32)18-14-9-7-5-3-4-6-8-10-16-20-30(33)34/h26-27,29,32H,2-25H2,1H3,(H,33,34)/t26-,27+,29-/m1/s1
InChIKey QBUYXUDIJYGFHU-IUAQSZDVSA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeQ0DhgNhKq
Name 4'.alpha.-(2"-ketobutyl cyclohexyl) 20.alpha.-eicosan-14.alpha.-ol-1-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-2-28(31)25-27-23-21-26(22-24-27)17-13-11-12-15-19-29(32)18-14-9-7-5-3-4-6-8-10-16-20-30(33)34/h26-27,29,32H,2-25H2,1H3,(H,33,34)/t26-,27+,29-/m1/s1
InChIKey QBUYXUDIJYGFHU-IUAQSZDVSA-N
Molecular Weight 480.774 g/mol
SMILES OC(CCCCCCCCCCCC[C@]([H])(CCCCCC[C@]1([H])CC[C@@]([H])(CC1)CC(CC)=O)O)=O
SPLASH splash10-0ac1-9200000000-0cbe24be80db7818a2fe
Source of Spectrum Y1-40B-704-4
Synonyms Lanceolatoic acid (R)-14-hydroxy-20-((1s,4R)-4-(2-oxobutyl)cyclohexyl)icosanoic acid
Wiley ID 1744077