Chem
J-GLOBAL ID：200907089561890901   Nikkaji number：J594.283G

Lipedoside B-VI

リペドシドB-VI
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： C31H46O14
Molecular formula furigana： C31-H46-O14
Molecular weight： 642.695
InChI： InChI=1S/C31H46O14/c1-6-31(5,14-13-20(34)30(3,4)40)45-29-25(39)27(44-28-24(38)23(37)22(36)16(2)41-28)26(19(15-32)42-29)43-21(35)12-9-17-7-10-18(33)11-8-17/h6-12,16,19-20,22-29,32-34,36-40H,1,13-15H2,2-5H3/b12-9+/t16-,19+,20?,22-,23+,24+,25+,26+,27+,28-,29-,31?/m0/s1
InChI key： HYDKODFNESPSKT-VGNJKAHFSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC(C)(CCC(O)C(C)(C)O)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  (4)：
  • 1-エテニル-1,5-ジメチル-4,5-ジヒドロキシヘキシル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
  • 6-[3-O-α-L-ラムノピラノシル-4-O-(4-ヒドロキシシンナモイル)-β-D-グルコピラノシルオキシ]-2,6-ジメチル-7-オクテン-2,3-ジオール
  • (2R,3R,4R,5R,6S)-6-[(6,7-ジヒドロキシ-3,7-ジメチルオクタ-1-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-[(6,7-dihydroxy-3,7-dimethyloct-1-en-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 (4)：
  • リペドシドB-VI
  • Lipedoside B-VI
  • 1-Ethenyl-1,5-dimethyl-4,5-dihydroxyhexyl 3-O-α-L-rhamnopyranosyl-4-O-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranoside
  • 6-[3-O-α-L-Rhamnopyranosyl-4-O-(4-hydroxycinnamoyl)-β-D-glucopyranosyloxy]-2,6-dimethyl-7-octene-2,3-diol
CAS registry number： 157085-45-5
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