Chem
J-GLOBAL ID:200907011716468633
Nikkaji number:J1.719.386D
5-Hydroxy-7-methoxy-2-[4-[2-O,6-O-bis(α-L-rhamnopyranosyl)-β-D-galactopyranosyloxy]phenyl]-4H-1-benzopyran-4-one
5-ヒドロキシ-7-メトキシ-2-[4-[2-O,6-O-ビス(α-L-ラムノピラノシル)-β-D-ガラクトピラノシルオキシ]フェニル]-4H-1-ベンゾピラン-4-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:
C34 H42 O18
Molecular formula furigana:
C34-H42-O18
Molecular weight:
738.692
InChI:
InChI=1S/C34H42O18/c1-12-23(37)26(40)29(43)32(47-12)46-11-21-25(39)28(42)31(52-33-30(44)27(41)24(38)13(2)48-33)34(51-21)49-15-6-4-14(5-7-15)19-10-18(36)22-17(35)8-16(45-3)9-20(22)50-19/h4-10,12-13,21,23-35,37-44H,11H2,1-3H3/t12-,13-,21+,23-,24-,25-,26+,27+,28-,29+,30+,31+,32+,33-,34+/m0/s1
InChI key:
CFRSCSLQZDVQKI-PRPWEORYSA-N
SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1
Systematic name (3):
5-ヒドロキシ-7-メトキシ-2-[4-[2-O,6-O-ビス(α-L-ラムノピラノシル)-β-D-ガラクトピラノシルオキシ]フェニル]-4H-1-ベンゾピラン-4-オン
2-(4-{[(2S,3R,4S,5R,6R)-4,5-ジヒドロキシ-3-{[(2S,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}-6-({[(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)オキサン-2-イル]オキシ}フェニル)-5-ヒドロキシ-7-メトキシ-4H-クロメン-4-オン
2-(4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one
Other name (1):
5-Hydroxy-7-methoxy-2-[4-[2-O,6-O-bis(α-L-rhamnopyranosyl)-β-D-galactopyranosyloxy]phenyl]-4H-1-benzopyran-4-one
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