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1-[(2'S,5'R)-5'-(1''-Hydroxy-1''-methylethyl)-2'-methyl-tetrahydrofuran-2'-yl]-4,9,13,17-tetramethyl-octdeca-4,8,12,16-tetraen-1-one

View entire compound with spectra: 1 MS (GC)

1-[(2'S,5'R)-5'-(1''-Hydroxy-1''-methylethyl)-2'-methyl-tetrahydrofuran-2'-yl]-4,9,13,17-tetramethyl-octdeca-4,8,12,16-tetraen-1-one
SpectraBase Compound ID KhlwoqyrbOl
InChI InChI=1S/C30H50O3/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-20-27(31)30(8)22-21-28(33-30)29(6,7)32/h13-15,18,28,32H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+/t28-,30+/m1/s1
InChIKey ATRRDDAMPILGIF-YCMPPBAASA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qaAddnySZ8
Name 1-[(2'S,5'R)-5'-(1''-Hydroxy-1''-methylethyl)-2'-methyl-tetrahydrofuran-2'-yl]-4,9,13,17-tetramethyl-octdeca-4,8,12,16-tetraen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-20-27(31)30(8)22-21-28(33-30)29(6,7)32/h13-15,18,28,32H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+/t28-,30+/m1/s1
InChIKey ATRRDDAMPILGIF-YCMPPBAASA-N
Molecular Weight 458.727 g/mol
SMILES OC([C@@]1(O[C@](C(=O)CC\C(=C\CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)(CC1)C)[H])(C)C
SPLASH splash10-014o-6900000000-1da1d06b7f5c31a34956
Source of Spectrum F5-5-1613-33-Ketol
Synonyms 1-[5'-(1''-Hydroxy-1''-methylethyl)-2'-methyltetrahydrofuran-2'-yl]-4,9,13,17-tetramethyloctdeca-4,8,12,16-tetraen-1-one (4E,8E,12E)-1-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
Wiley ID 1733181