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17.eta., 26-Dihydroxyiridal

View entire compound with spectra: 1 MS (GC)

17.eta., 26-Dihydroxyiridal
SpectraBase Compound ID 45H0jKi5kft
InChI InChI=1S/C30H50O5/c1-22(2)10-7-11-23(3)18-26(34)19-24(4)12-8-15-30(21-33)28(13-9-17-31)27(25(5)20-32)14-16-29(30,6)35/h10,12,18,20,26,28,31,33-35H,7-9,11,13-17,19,21H2,1-6H3/b23-18+,24-12+,27-25-/t26?,28-,29+,30-/m1/s1
InChIKey ABQSCSIGRMJZCY-ASUMWORQSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45x7QfXtuh8
Name 17.eta., 26-Dihydroxyiridal
Alternate Name(s) (2Z)-2-{(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-3-[(3E,7E)-6-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrienyl]-4-methylcyclohexylidene}propanal
CAS Registry Number 138459-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-22(2)10-7-11-23(3)18-26(34)19-24(4)12-8-15-30(21-33)28(13-9-17-31)27(25(5)20-32)14-16-29(30,6)35/h10,12,18,20,26,28,31,33-35H,7-9,11,13-17,19,21H2,1-6H3/b23-18+,24-12+,27-25-/t26?,28-,29+,30-/m1/s1
InChIKey ABQSCSIGRMJZCY-ASUMWORQSA-N
Molecular Weight 490.725 g/mol
SMILES O[C@]1(CC\C([C@]([C@@]1(CC\C=C\(CC(\C=C\(CCC=C(C)C)C)O)C)CO)(CCCO)[H])=C/(C=O)C)C
SPLASH splash10-014i-9200000000-e8a423c51509c1c26e9a
Source of Spectrum U-1992-272-11
Wiley ID 764050