Chem
J-GLOBAL ID：200907084164870803   Nikkaji number：J2.310.995F

(6Z,9Z)-17-[2-O-(6-O-Acetyl-β-D-glucopyranosyl)-6-O-acetyl-β-D-glucopyranosyloxy]-6,9-octadecadienoic acid methyl ester

(6Z,9Z)-17-[2-O-(6-O-アセチル-β-D-グルコピラノシル)-6-O-アセチル-β-D-グルコピラノシルオキシ]-6,9-オクタデカジエン酸メチル
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： C35H58O15
Molecular formula furigana： C35-H58-O15
Molecular weight： 718.834
InChI： InChI=1S/C35H58O15/c1-22(18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-27(38)44-4)47-35-33(31(42)29(40)26(49-35)21-46-24(3)37)50-34-32(43)30(41)28(39)25(48-34)20-45-23(2)36/h5-6,9,11,22,25-26,28-35,39-43H,7-8,10,12-21H2,1-4H3/b6-5-,11-9-/t22?,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-/m1/s1
InChI key： FPMTXPDWFJGEAJ-GHKAEMHNSA-N
SMILES： COC(=O)CCCC/C=C\C/C=C\CCCCCCC(C)O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (6Z,9Z)-17-[2-O-(6-O-アセチル-β-D-グルコピラノシル)-6-O-アセチル-β-D-グルコピラノシルオキシ]-6,9-オクタデカジエン酸メチル
  • メチル (6Z,9Z)-17-{[(2R,3R,4S,5S,6R)-6-[(アセチルオキシ)メチル]-3-{[(2S,3R,4S,5S,6R)-6-[(アセチルオキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル]オキシ}オクタデカ-6,9-ジエノアート
  • methyl (6Z,9Z)-17-{[(2R,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}octadeca-6,9-dienoate
Other name (1)：
  • (6Z,9Z)-17-[2-O-(6-O-Acetyl-β-D-glucopyranosyl)-6-O-acetyl-β-D-glucopyranosyloxy]-6,9-octadecadienoic acid methyl ester
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