Chem
J-GLOBAL ID：200907018198346850   Nikkaji number：J2.310.993J

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

(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
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： C34H56O15
Molecular formula furigana： C34-H56-O15
Molecular weight： 704.807
InChI： InChI=1S/C34H56O15/c1-21(17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)38)46-34-32(30(42)28(40)25(48-34)20-45-23(3)36)49-33-31(43)29(41)27(39)24(47-33)19-44-22(2)35/h4-5,8,10,21,24-25,27-34,39-43H,6-7,9,11-20H2,1-3H3,(H,37,38)/b5-4-,10-8-/t21?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1
InChI key： SXZXSVMWBKXAOH-UFLOPXRKSA-N
SMILES： CC(CCCCCC/C=C\C/C=C\CCCCC(=O)O)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
  • (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-ジエン酸
  • (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-dienoic acid
Other name (1)：
  • (6Z,9Z)-17-[2-O-(6-O-Acetyl-β-D-glucopyranosyl)-6-O-acetyl-β-D-glucopyranosyloxy]-6,9-octadecadienoic acid
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