Chem
J-GLOBAL ID:200907009956996098
Nikkaji number:J760.928K
Secoisolariciresinol diglucoside
セコイソラリシレシノールジグルコシド
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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:
C32 H46 O16
Molecular formula furigana:
C32-H46-O16
Molecular weight:
686.704
InChI:
InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1
InChI key:
SBVBJPHMDABKJV-PGCJWIIOSA-N
SMILES:
COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O
Systematic name (4):
4,4′-[(2R,3R)-2,3-ビス(β-D-グルコピラノシルオキシメチル)-1,4-ブタンジイル]ビス(2-メトキシフェノール)
[(2R,3R)-2,3-ビス(3-メトキシ-4-ヒドロキシベンジル)-1,4-ブタンジイル]ビス(β-D-グルコピラノシド)
(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-ビス[(4-ヒドロキシ-3-メトキシフェニル)メチル]-4-{[(2R,3R,4S,5S,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}ブトキシ]-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-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (4):
セコイソラリシレシノールジグルコシド
Secoisolariciresinol diglucoside
4,4′-[(2R,3R)-2,3-Bis(β-D-glucopyranosyloxymethyl)-1,4-butanediyl]bis(2-methoxyphenol)
[(2R,3R)-2,3-Bis(3-methoxy-4-hydroxybenzyl)-1,4-butanediyl]bis(β-D-glucopyranoside)
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