Chem
J-GLOBAL ID：200907005201721794   Nikkaji number：J797.505H

Tubuloside B

ツブロシドB
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： C31H38O16
Molecular formula furigana： C31-H38-O16
Molecular weight： 666.629
InChI： InChI=1S/C31H38O16/c1-14-24(38)26(40)27(41)30(44-14)47-28-25(39)22(13-43-23(37)8-5-16-3-6-18(33)20(35)11-16)46-31(29(28)45-15(2)32)42-10-9-17-4-7-19(34)21(36)12-17/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1
InChI key： HFJIGXAMJFDVFR-OMRKUVHCSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2OC(=O)C)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシフェニル)エチル2-O-アセチル-3-O-α-L-ラムノピラノシル-6-O-[(E)-3-(3,4-ジヒドロキシフェニル)アクリロイル]-β-D-グルコピラノシド
  • [(2R,3R,4S,5R,6R)-5-(アセチルオキシ)-6-[2-(3,4-ジヒドロキシフェニル)エトキシ]-3-ヒドロキシ-4-{[(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]メチル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • [(2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • ツブロシドB
  • Tubuloside B
  • 2-(3,4-Dihydroxyphenyl)ethyl 2-O-acetyl-3-O-α-L-rhamnopyranosyl-6-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-β-D-glucopyranoside
CAS registry number： 112516-04-8
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