(9Cis,13Cis)-O~15~-[(2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl]Retinol

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Properties Simple | Detailed

Formula C26H38O7
IUPAC Name (2s,3s,4s,5r,6r)-6-[(2z,4e,6z,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 462.576 g·mol−1
Heat of Formation -1211.1 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 596.54 Å 3
Surface Area 499.16 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[(2z,4e,6z,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2z,4e,6z,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2z,4e,6z,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2z,4e,6z,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • beta-d-glucopyranosiduronic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenyl, (all-e)-
  • retinyl beta-glucuronide
  • retinylglucuronide
CAS Number(s)
  • 104514-48-9
  • 16639-19-3
InChIKey IYHVRAMISWFIRU-GMBUFXMQSA-N
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