Chem
J-GLOBAL ID：200907085363101025   Nikkaji number：J2.002.723A

Junipercomnoside B

ジュニペルコムノシドB
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： C32H44O15
Molecular formula furigana： C32-H44-O15
Molecular weight： 668.689
InChI： InChI=1S/C32H44O15/c1-14-23(35)25(37)27(39)32(45-14)44-13-18-17-9-15(5-4-8-43-31-28(40)26(38)24(36)22(12-33)46-31)10-21(42-3)30(17)47-29(18)16-6-7-19(34)20(11-16)41-2/h6-7,9-11,14,18,22-29,31-40H,4-5,8,12-13H2,1-3H3/t14-,18-,22+,23-,24+,25+,26-,27+,28+,29+,31+,32+/m0/s1
InChI key： ZPDRCPKBKAFAQJ-HOUMTNNSSA-N
SMILES： COc1cc(CCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](Oc12)c1ccc(O)c(OC)c1
Systematic name  (3)：
  • 4-[[(2S)-3β-[(α-L-ラムノピラノシルオキシ)メチル]-5-[3-(β-D-グルコピラノシルオキシ)プロピル]-7-メトキシ-2,3-ジヒドロベンゾフラン]-2α-イル]-2-メトキシフェノール
  • (2R,3R,4S,5S,6R)-2-{3-[(2S,3R)-2-(4-ヒドロキシ-3-メトキシフェニル)-7-メトキシ-3-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)-2,3-ジヒドロ-1-ベンゾフラン-5-イル]プロポキシ}-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-{3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • 4-[[(2S)-3β-[(α-L-Rhamnopyranosyloxy)methyl]-5-[3-(β-D-glucopyranosyloxy)propyl]-7-methoxy-2,3-dihydrobenzofuran]-2α-yl]-2-methoxyphenol
  • Junipercomnoside B
  • ジュニペルコムノシドB
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