Chem
J-GLOBAL ID：200907001077956383   Nikkaji number：J2.403.588C

Lappaol D

ラッパオール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： C31H36O10
Molecular formula furigana： C31-H36-O10
Molecular weight： 568.619
InChI： InChI=1S/C31H36O10/c1-37-25-8-5-17(12-27(25)39-3)9-20-16-41-31(36)21(20)10-18-11-22(30(35)28(13-18)40-4)23(15-32)29(34)19-6-7-24(33)26(14-19)38-2/h5-8,11-14,20-21,23,29,32-35H,9-10,15-16H2,1-4H3/t20-,21+,23?,29?/m0/s1
InChI key： HDTODGZKAUQBPM-DVYQMHLFSA-N
SMILES： COc1cc(ccc1O)C(O)C(CO)c1cc(C[C@@H]2[C@@H](Cc3ccc(OC)c(OC)c3)COC2=O)cc(OC)c1O
Systematic name  (3)：
  • (3R)-3α-[3-メトキシ-4-ヒドロキシ-5-[α-(ヒドロキシメチル)-β,4-ジヒドロキシ-3-メトキシフェネチル]ベンジル]-4β-(3,4-ジメトキシベンジル)テトラヒドロフラン-2-オン
  • (3R,4R)-3-({3-[1,3-ジヒドロキシ-1-(4-ヒドロキシ-3-メトキシフェニル)プロパン-2-イル]-4-ヒドロキシ-5-メトキシフェニル}メチル)-4-[(3,4-ジメトキシフェニル)メチル]オキソラン-2-オン
  • (3R,4R)-3-({3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Other name (3)：
  • (3R)-3α-[3-Methoxy-4-hydroxy-5-[α-(hydroxymethyl)-β,4-dihydroxy-3-methoxyphenethyl]benzyl]-4β-(3,4-dimethoxybenzyl)tetrahydrofuran-2-one
  • ラッパオールD
  • Lappaol D
KEGG COMPOUND： C17812
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