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1,20-bis(4-hydroxy-2,5,5-trimethyl-3-oxo-1-cyclopentenyl)-3,8,13,18-tetramethyl-eicosa-oct-1,3,5,7,13,15,17,19-ene-9,11-diyne

View entire compound with spectra: 1 MS (GC)

1,20-bis(4-hydroxy-2,5,5-trimethyl-3-oxo-1-cyclopentenyl)-3,8,13,18-tetramethyl-eicosa-oct-1,3,5,7,13,15,17,19-ene-9,11-diyne
SpectraBase Compound ID 9Q8uLzL3GYG
InChI InChI=1S/C40H46O4/c1-27(19-13-15-21-29(3)23-25-33-31(5)35(41)37(43)39(33,7)8)17-11-12-18-28(2)20-14-16-22-30(4)24-26-34-32(6)36(42)38(44)40(34,9)10/h13-16,19-26,37-38,43-44H,1-10H3/b15-13+,16-14+,25-23+,26-24+,27-19+,28-20+,29-21+,30-22+
InChIKey MRSANDLCAURUMW-UYZBYEEFSA-N
Mol Weight 590.8 g/mol
Molecular Formula C40H46O4
Exact Mass 590.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID N6btlAPuC
Name 1,20-bis(4-hydroxy-2,5,5-trimethyl-3-oxo-1-cyclopentenyl)-3,8,13,18-tetramethyl-eicosa-oct-1,3,5,7,13,15,17,19-ene-9,11-diyne
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H46O4
InChI InChI=1S/C40H46O4/c1-27(19-13-15-21-29(3)23-25-33-31(5)35(41)37(43)39(33,7)8)17-11-12-18-28(2)20-14-16-22-30(4)24-26-34-32(6)36(42)38(44)40(34,9)10/h13-16,19-26,37-38,43-44H,1-10H3/b15-13+,16-14+,25-23+,26-24+,27-19+,28-20+,29-21+,30-22+
InChIKey MRSANDLCAURUMW-UYZBYEEFSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(199904)341_3_302
Molecular Weight 590.804 g/mol
SMILES OC1C(C(\C=C\C(=C\C=C\C=C\(C#CC#C\C(=C\C=C\C=C\(\C=C\C2=C(C(C(C2(C)C)O)=O)C)C)C)C)C)=C(C1=O)C)(C)C
SPLASH splash10-052f-9300000000-2a505d19a7b295cf4601
Source of Spectrum JF-341-308-8h
Synonyms 3,3'-((1E,3E,5E,7E,13E,15E,17E,19E)-3,8,13,18-tetramethylicosa-1,3,5,7,13,15,17,19-octaen-9,11-diyne-1,20-diyl)bis(5-hydroxy-2,4,4-trimethylcyclopent-2-enone)
Wiley ID 1766666