Chem
J-GLOBAL ID：200907026981874780   Nikkaji number：J2.099.105D

Junipercomnoside D

ジュニペルコムノシドD
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： C25H32O11
Molecular formula furigana： C25-H32-O11
Molecular weight： 508.520
InChI： InChI=1S/C25H32O11/c1-32-17-10-14(5-6-15(17)28)24-20(12-33-25-23(31)22(30)21(29)19(11-27)36-25)34-16-7-4-13(3-2-8-26)9-18(16)35-24/h4-7,9-10,19-31H,2-3,8,11-12H2,1H3/t19-,20-,21-,22+,23-,24-,25-/m1/s1
InChI key： FLNQGNVVDKZZMD-NTFXODPMSA-N
SMILES： COc1cc(ccc1O)[C@H]1Oc2cc(CCCO)ccc2O[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[(β-D-グルコピラノシルオキシ)メチル]-2α-(3-メトキシ-4-ヒドロキシフェニル)-2,3-ジヒドロ-1,4-ベンゾジオキシン-7-(1-プロパノール)
  • (2R,3R,4S,5S,6R)-2-{[(2R,3R)-3-(4-ヒドロキシ-3-メトキシフェニル)-6-(3-ヒドロキシプロピル)-2,3-ジヒドロ-1,4-ベンゾジオキシン-2-イル]メトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-6-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • 3β-[(β-D-Glucopyranosyloxy)methyl]-2α-(3-methoxy-4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-(1-propanol)
  • Junipercomnoside D
  • ジュニペルコムノシドD
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