Chem
J-GLOBAL ID:200907037548038961   Nikkaji number:J687.720F

1-O-[(9Z,12Z)-1-Oxo-9,12-octadecadienyl]-2-O-[(7Z,10Z)-1-oxo-7,10-hexadecadienyl]-3-O-(6-O-α-D-galactopyranosyl-β-D-galactopyranosyl)-L-glycerol

1-O-[(9Z,12Z)-1-オキソ-9,12-オクタデカジエニル]-2-O-[(7Z,10Z)-1-オキソ-7,10-ヘキサデカジエニル]-3-O-(6-O-α-D-ガラクトピラノシル-β-D-ガラクトピラノシル)-L-グリセロール
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: C49H84O15
Molecular formula furigana: C49-H84-O15
Molecular weight: 913.196
InChI: InChI=1S/C49H84O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11-14,17-19,22,37-39,42-50,53-58H,3-10,15-16,20-21,23-36H2,1-2H3/b13-11-,14-12-,18-17-,22-19-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1
InChI key: MIALTXUVFRNKOW-PDHGYAATSA-N
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\CCCCC
Systematic name  (3):
  • 1-O-[(9Z,12Z)-1-オキソ-9,12-オクタデカジエニル]-2-O-[(7Z,10Z)-1-オキソ-7,10-ヘキサデカジエニル]-3-O-(6-O-α-D-ガラクトピラノシル-β-D-ガラクトピラノシル)-L-グリセロール
  • (2S)-2-[(7Z,10Z)-ヘキサデカ-7,10-ジエノイルオキシ]-3-{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-({[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}プロピル (9Z,12Z)-オクタデカ-9,12-ジエノアート
  • (2S)-2-[(7Z,10Z)-hexadeca-7,10-dienoyloxy]-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl (9Z,12Z)-octadeca-9,12-dienoate
Other name (1):
  • 1-O-[(9Z,12Z)-1-Oxo-9,12-octadecadienyl]-2-O-[(7Z,10Z)-1-oxo-7,10-hexadecadienyl]-3-O-(6-O-α-D-galactopyranosyl-β-D-galactopyranosyl)-L-glycerol
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