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

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2-[(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-(4,8,12-trimethyltrideca-3,5,7,11-tetraenyl)cyclohexylidene]propanal
SpectraBase Compound ID 1mu4ONXp2l6
InChI InChI=1S/C30H48O3/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-19-29(6)28(17-11-21-31)27(26(5)22-32)18-20-30(29,7)33/h9,12,14-16,22,28,31,33H,8,10-11,13,17-21H2,1-7H3/t28-,29+,30+/m1/s1
InChIKey UXUZTOWVOFDKQQ-NGDRWEMDSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZsEGkXd5HQ
Name 2-[(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-(4,8,12-trimethyltrideca-3,5,7,11-tetraenyl)cyclohexylidene]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-19-29(6)28(17-11-21-31)27(26(5)22-32)18-20-30(29,7)33/h9,12,14-16,22,28,31,33H,8,10-11,13,17-21H2,1-7H3/t28-,29+,30+/m1/s1
InChIKey UXUZTOWVOFDKQQ-NGDRWEMDSA-N
Literature Reference DOI 10.1002/hlca.19910740838
Molecular Weight 456.711 g/mol
SMILES O[C@]1(CCC([C@@](CCCO)([C@]1(C)CCC=C(C=CC=C(CCC=C(C)C)C)C)[H])=C(C=O)C)C
SPLASH splash10-014j-9700000000-65d5580da988b8d3db24
Source of Spectrum H-74-2041-8
Synonyms (6R,10S,11S)-16,17-Didehydroiridal 2-((2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-(4,8,12-trimethyltrideca-3,5,7,11-tetraen-1-yl)cyclohexylidene)propanal
Wiley ID 1789400