Chem
J-GLOBAL ID:201007068258449201   Nikkaji number:J2.830.941D

(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-8-yl]-3-methylpenta-2,4-dienoic acid 1-O-(4-hydroxy-2-methoxyphenyl)-6-deoxy-β-D-glucopyranose-6-yl ester

(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-ジヒドロキシ-1,5-ジメチル-7-オキソ-6-オキサビシクロ[3.2.1]オクタン-8-イル]-3-メチルペンタ-2,4-ジエン酸1-O-(4-ヒドロキシ-2-メトキシフェニル)-6-デオキシ-β-D-グルコピラノース-6-イル
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: C28H36O13
Molecular formula furigana: C28-H36-O13
Molecular weight: 580.583
InChI: InChI=1S/C28H36O13/c1-14(7-8-28(36)26(2)11-16(30)12-27(28,3)41-25(26)35)9-20(31)38-13-19-21(32)22(33)23(34)24(40-19)39-17-6-5-15(29)10-18(17)37-4/h5-10,16,19,21-24,29-30,32-34,36H,11-13H2,1-4H3/b8-7+,14-9-/t16-,19+,21+,22-,23+,24+,26+,27+,28-/m0/s1
InChI key: NJSXGVBUJRYFIX-RRAZUKNLSA-N
SMILES: COc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)/C=C(/C)\C=C\[C@@]2(O)[C@@]3(C)C[C@@H](O)C[C@]2(C)C(=O)O3)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • (2Z,4E)-5-[(1S,3S,5R,8S)-3,8-ジヒドロキシ-1,5-ジメチル-7-オキソ-6-オキサビシクロ[3.2.1]オクタン-8-イル]-3-メチルペンタ-2,4-ジエン酸1-O-(4-ヒドロキシ-2-メトキシフェニル)-6-デオキシ-β-D-グルコピラノース-6-イル
  • [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(4-ヒドロキシ-2-メトキシフェノキシ)オキサン-2-イル]メチル (2Z,4E)-5-[(1S,3S,5R,8S)-3,8-ジヒドロキシ-1,5-ジメチル-7-オキソ-6-オキサビシクロ[3.2.1]オクタン-8-イル]-3-メチルペンタ-2,4-ジエノアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-2-methoxyphenoxy)oxan-2-yl]methyl (2Z,4E)-5-[(1S,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate
Other name (1):
  • (2Z,4E)-5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-8-yl]-3-methylpenta-2,4-dienoic acid 1-O-(4-hydroxy-2-methoxyphenyl)-6-deoxy-β-D-glucopyranose-6-yl ester
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