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Methyl 10(S)-hydroxy-11(R),12(S)-(isopropylidenedioxy)eicosa-5,8-die-14-ynoate
SpectraBase Compound ID 3CklUNIJyeR
InChI InChI=1S/C24H38O5/c1-5-6-7-8-12-15-18-21-23(29-24(2,3)28-21)20(25)17-14-11-9-10-13-16-19-22(26)27-4/h9-10,14,17,20-21,23,25H,5-8,11,13,16,18-19H2,1-4H3/b10-9+,17-14+/t20-,21-,23+/m0/s1
InChIKey KKQKJWVEDGUUDT-LXJTVQPFSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43UFKKUVZ0I
Name Methyl 10(S)-hydroxy-11(R),12(S)-(isopropylidenedioxy)eicosa-5,8-die-14-ynoate
Alternate Name(s) Methyl (5E,8E,10S)-10-[(4R,5S)-2,2-dimethyl-5-(2-octynyl)-1,3-dioxolan-4-yl]-10-hydroxy-5,8-decadienoate Methyl 10(S)-hydroxy-11(R),12(S)-(isopropylidenedioxy0eicosa-5,8-die-14-ynoate Methyl 10-hydroxy-11,12-(isopropylidenedioxy0eicosa-5,8-die-14-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-5-6-7-8-12-15-18-21-23(29-24(2,3)28-21)20(25)17-14-11-9-10-13-16-19-22(26)27-4/h9-10,14,17,20-21,23,25H,5-8,11,13,16,18-19H2,1-4H3/b10-9+,17-14+/t20-,21-,23+/m0/s1
InChIKey KKQKJWVEDGUUDT-LXJTVQPFSA-N
Molecular Weight 406.563 g/mol
SMILES O[C@]([C@]1(OC(C)(C)O[C@]1(CC#CCCCCC)[H])[H])(\C=C\C\C=C\CCCC(=O)OC)[H]
SPLASH splash10-003r-8961000000-edfe905c68a41852b4e2
Source of Spectrum QF-49-555-10
Wiley ID 834144