Chem
J-GLOBAL ID:200907061356654802
Nikkaji number:J2.398.940I
2′′-O-Rhamnosylisoswertisin
イソスウェルチシン2′′-ラムノシド
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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:
C28 H32 O14
Molecular formula furigana:
C28-H32-O14
Molecular weight:
592.550
InChI:
InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23-,24+,26-,27+,28-/m0/s1
InChI key:
HFUYHHROXLKXRR-WBXLRLGPSA-N
SMILES:
COc1cc(O)c2c(oc(cc2=O)c2ccc(O)cc2)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Systematic name (3):
8-(2-O-α-L-ラムノピラノシル-β-D-グルコピラノシル)-5-ヒドロキシ-2-(4-ヒドロキシフェニル)-7-メトキシ-4H-1-ベンゾピラン-4-オン
8-[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-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}オキサン-2-イル]-5-ヒドロキシ-2-(4-ヒドロキシフェニル)-7-メトキシ-4H-クロメン-4-オン
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
Other name (9):
CAS registry number:
64821-00-7
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