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Methyl all-trans-5,6-erythro-5,6-dihydroxy-5,6-dihydroretinoate
SpectraBase Compound ID 61F39V3jeKm
InChI InChI=1S/C21H32O4/c1-16(9-7-10-17(2)15-18(22)25-6)11-14-21(24)19(3,4)12-8-13-20(21,5)23/h7,9-11,14-15,23-24H,8,12-13H2,1-6H3/b10-7+,14-11+,16-9+,17-15+
InChIKey RZAQIXABEIOMSQ-FEPFPIPXSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xEQyGYbfrr
Name Methyl 5,6-erythro-5,6-dihydroxy-5,6-dihydroretinate
CAS Registry Number 69780-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-16(9-7-10-17(2)15-18(22)25-6)11-14-21(24)19(3,4)12-8-13-20(21,5)23/h7,9-11,14-15,23-24H,8,12-13H2,1-6H3/b10-7+,14-11+,16-9+,17-15+
InChIKey RZAQIXABEIOMSQ-FEPFPIPXSA-N
Molecular Weight 348.483 g/mol
SMILES OC1(C(\C=C\C(=C\C=C\C(=C\C(=O)OC)C)C)(C(CCC1)(C)C)O)C
SPLASH splash10-0a6r-0913000000-1649e300afcce1573942
Source of Spectrum KC-1978-1521-0
Synonyms Methyl all-trans-5,6-threo-5,6-dihydroxy-5,6-dihydroretinoate
Wiley ID 1340834