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2-[[1R,2S,3S)-4-Hydroxy-3-(hydroxymethyl)-2-(hydroxypropyl)-4-methyl-3-(4,8,12-trimethyltrideca-3,5,7,11-tetraenyl)cyclohexylidene]propanal

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2-[[1R,2S,3S)-4-Hydroxy-3-(hydroxymethyl)-2-(hydroxypropyl)-4-methyl-3-(4,8,12-trimethyltrideca-3,5,7,11-tetraenyl)cyclohexylidene]propanal
SpectraBase Compound ID IH7w8tev6zf
InChI InChI=1S/C30H48O4/c1-23(2)11-7-12-24(3)13-8-14-25(4)15-9-18-30(22-33)28(16-10-20-31)27(26(5)21-32)17-19-29(30,6)34/h8,11,13-15,21,28,31,33-34H,7,9-10,12,16-20,22H2,1-6H3/t28-,29+,30-/m1/s1
InChIKey XNRQWWCTSMJFJI-DYIKCSJPSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VwvUndtaE1
Name 2-[[1R,2S,3S)-4-Hydroxy-3-(hydroxymethyl)-2-(hydroxypropyl)-4-methyl-3-(4,8,12-trimethyltrideca-3,5,7,11-tetraenyl)cyclohexylidene]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-23(2)11-7-12-24(3)13-8-14-25(4)15-9-18-30(22-33)28(16-10-20-31)27(26(5)21-32)17-19-29(30,6)34/h8,11,13-15,21,28,31,33-34H,7,9-10,12,16-20,22H2,1-6H3/t28-,29+,30-/m1/s1
InChIKey XNRQWWCTSMJFJI-DYIKCSJPSA-N
Literature Reference DOI 10.1002/hlca.19910740838
Molecular Weight 472.710 g/mol
SMILES O[C@]1(CCC([C@@](CCCO)([C@]1(CO)CCC=C(C=CC=C(CCC=C(C)C)C)C)[H])=C(C=O)C)C
SPLASH splash10-014j-9710100000-bead0fd800ed57377592
Source of Spectrum H-74-2042-9
Synonyms (6R,10S,11S)-16,17-Didehydro-26-hydroxyiridal 2-((2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-(4,8,12-trimethyltrideca-3,5,7,11-tetraen-1-yl)cyclohexylidene)propanal
Wiley ID 1789401