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Retinoic acid, 5,6-dihydro-5,6-dihydroxy-, methyl ester, (5S,6S)-
SpectraBase Compound ID F2CbugkFoHm
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+/t20-,21-/m0/s1
InChIKey RZAQIXABEIOMSQ-ZYPHALJASA-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 47mZ6lFcUNn
Name Retinoic acid, 5,6-dihydro-5,6-dihydroxy-, methyl ester, (5S,6S)-
CAS Registry Number 81844-61-3
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+/t20-,21-/m0/s1
InChIKey RZAQIXABEIOMSQ-ZYPHALJASA-N
Molecular Weight 348.483 g/mol
SMILES O[C@@]1([C@](\C=C\C(=C\C=C\C(=C\C(=O)OC)C)C)(C(CCC1)(C)C)O)C
SPLASH splash10-0apl-9210000000-cdc3aa42a7637d65f4c3
Source of Spectrum H-65-361-0
Synonyms (5S,6S)-5,6-dihydroxy-O(15)-methyl-5,6-dihydroretinoic acid Methyl ester of (+)-(1'S,2'S,all-E)-3,7-dimethyl-9-[1',2'-dihydroxy-2',6',6'-trimethyl-1'-cyclohexyl]-2,4,6,8-nonatetraenoic acid
Wiley ID 1340837