Chem
J-GLOBAL ID:200907049672514664   Nikkaji number:J623.378C

(9Z)-Retinoic acid β-D-glucopyranosyl ester

(9Z)-レチン酸β-D-グルコピラノシル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C26H38O7
Molecular formula furigana: C26-H38-O7
Molecular weight: 462.583
InChI: InChI=1S/C26H38O7/c1-16(11-12-19-18(3)10-7-13-26(19,4)5)8-6-9-17(2)14-21(28)33-25-24(31)23(30)22(29)20(15-27)32-25/h6,8-9,11-12,14,20,22-25,27,29-31H,7,10,13,15H2,1-5H3/b9-6+,12-11+,16-8-,17-14+/t20-,22-,23+,24-,25+/m1/s1
InChI key: KIJSHPGTCADRKQ-RLWWEDLESA-N
SMILES: C/C(=C/C=C/C(=C/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C)/C=C/C1=C(C)CCCC1(C)C
Systematic name  (3):
  • (9Z)-レチン酸β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (2E,4E,6Z,8E)-3,7-ジメチル-9-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ノナ-2,4,6,8-テトラエノアート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
Other name (1):
  • (9Z)-Retinoic acid β-D-glucopyranosyl ester
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