Chem
J-GLOBAL ID:200907096790737056
Nikkaji number:J1.954.478H
(1E,6E)-1-[3-Methoxy-4-(β-D-galactopyranosyloxy)phenyl]-7-(3-methoxy-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
(1E,6E)-1-[3-メトキシ-4-(β-D-ガラクトピラノシルオキシ)フェニル]-7-(3-メトキシ-4-ヒドロキシフェニル)-1,6-ヘプタジエン-3,5-ジオン
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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:
C27 H30 O11
Molecular formula furigana:
C27-H30-O11
Molecular weight:
530.526
InChI:
InChI=1S/C27H30O11/c1-35-21-11-15(5-9-19(21)31)3-7-17(29)13-18(30)8-4-16-6-10-20(22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h3-12,23-28,31-34H,13-14H2,1-2H3/b7-3+,8-4+/t23-,24+,25+,26-,27-/m1/s1
InChI key:
LVMBIHPDKVZZOB-JCSIODDYSA-N
SMILES:
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O
Systematic name (3):
(1E,6E)-1-[3-メトキシ-4-(β-D-ガラクトピラノシルオキシ)フェニル]-7-(3-メトキシ-4-ヒドロキシフェニル)-1,6-ヘプタジエン-3,5-ジオン
(1E,6E)-1-(4-ヒドロキシ-3-メトキシフェニル)-7-(3-メトキシ-4-{[(2S,3R,4S,5R,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]オキシ}フェニル)ヘプタ-1,6-ジエン-3,5-ジオン
(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(3-methoxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)hepta-1,6-diene-3,5-dione
Other name (1):
(1E,6E)-1-[3-Methoxy-4-(β-D-galactopyranosyloxy)phenyl]-7-(3-methoxy-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
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