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(1S)-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-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1S)-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-ol
SpectraBase Compound ID Hp1QIWcSd0e
InChI InChI=1S/C30H52O3/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/h13-15,18,27-28,31-32H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+/t27-,28+,30-/m0/s1
InChIKey MWIPCGYDQXLAFB-MLRHREMTSA-N
Mol Weight 460.7 g/mol
Molecular Formula C30H52O3
Exact Mass 460.391646 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JH0APwSbxgj
Name (1S)-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-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.391645531 u
Formula C30H52O3
InChI InChI=1S/C30H52O3/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/h13-15,18,27-28,31-32H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+/t27-,28+,30-/m0/s1
InChIKey MWIPCGYDQXLAFB-MLRHREMTSA-N
Molecular Weight 460.743 g/mol
SMILES [C@]1(O[C@](CC1)(C(O)(C)C)[H])([C@](CC\C(=C\CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)(O)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956515