Chem
J-GLOBAL ID：200907060264408639   Nikkaji number：J592.819B

Lipedoside B-III

リペドシドB-III
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： C31H44O12
Molecular formula furigana： C31-H44-O12
Molecular weight： 608.681
InChI： InChI=1S/C31H44O12/c1-6-31(5,15-7-8-17(2)3)43-30-26(38)28(42-29-25(37)24(36)23(35)18(4)39-29)27(21(16-32)40-30)41-22(34)14-11-19-9-12-20(33)13-10-19/h6,8-14,18,21,23-30,32-33,35-38H,1,7,15-16H2,2-5H3/b14-11+/t18-,21+,23-,24+,25+,26+,27+,28+,29-,30-,31+/m0/s1
InChI key： MTWYOPMNIPFQKJ-YUCBCGROSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@](C)(CCC=C(C)C)C=C)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • [(S)-1-エテニル-1,5-ジメチル-4-ヘキセニル]3-O-α-L-ラムノピラノシル-4-O-[(E)-3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]-β-D-グルコピラノシド
  • (2R,3R,4R,5R,6S)-6-{[(3S)-3,7-ジメチルオクタ-1,6-ジエン-3-イル]オキシ}-5-ヒドロキシ-2-(ヒドロキシメチル)-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-3-イル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4R,5R,6S)-6-{[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (3)：
  • [(S)-1-Ethenyl-1,5-dimethyl-4-hexenyl]3-O-α-L-rhamnopyranosyl-4-O-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranoside
  • リペドシドB-III
  • Lipedoside B-III
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