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1-O-Retinoyl-.beta.-D-glucopyranuronic acid
SpectraBase Compound ID GCIZKyITHyl
InChI InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+
InChIKey MTGFYEHKPMOVNE-YCNIQYBTSA-N
Mol Weight 476.6 g/mol
Molecular Formula C26H36O8
Exact Mass 476.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJgzgwUUmSk
Name 1-O-Retinoyl-.beta.-D-glucopyranuronic acid
CAS Registry Number 401-10-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O8
InChI InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+
InChIKey MTGFYEHKPMOVNE-YCNIQYBTSA-N
Molecular Weight 476.566 g/mol
SMILES OC1C(C(C(OC1C(O)=O)OC(\C=C\(\C=C\C=C\(\C=C\C1=C(C)CCCC1(C)C)C)C)=O)O)O
SPLASH splash10-0udi-0945000000-0f6a7f2dcc056b01b8f0
Source of Spectrum W5-1989-38486-27050
Synonyms 13-cis-retinoyl glucuronide 6-[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid 6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid 6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Glucuronide Retinoyl glucuronide
Wiley ID 1394307