Chem
J-GLOBAL ID:200907083655197594   Nikkaji number:J1.115.754H

Euplexide B

オイプレキシドB
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: C36H50O12
Molecular formula furigana: C36-H50-O12
Molecular weight: 674.784
InChI: InChI=1S/C36H50O12/c1-20(2)15-29(44-25(7)38)16-22(4)12-10-11-21(3)13-14-28-18-30(41)23(5)17-31(28)47-36-33(42)35(46-27(9)40)34(45-26(8)39)32(48-36)19-43-24(6)37/h12-13,15,17-18,29,32-36,41-42H,10-11,14,16,19H2,1-9H3/t29-,32+,33+,34-,35+,36+/m0/s1
InChI key: GLIWVCWHDRRQTC-GZUHKULTSA-N
SMILES: CC(=C[C@@H](CC(=CCCC(=CCc1cc(O)c(C)cc1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1O)C)C)OC(=O)C)C
Systematic name  (3):
  • 2-[(9R)-3,7,11-トリメチル-9-アセトキシ-2,6,10-ドデカトリエニル]-4-ヒドロキシ-5-メチルフェニル3-O,4-O,6-O-トリアセチル-β-D-ガラクトピラノシド
  • (4R)-12-(2-{[(2S,3R,4R,5S,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-ヒドロキシオキサン-2-イル]オキシ}-5-ヒドロキシ-4-メチルフェニル)-2,6,10-トリメチルドデカ-2,6,10-トリエン-4-イル アセタート
  • (4R)-12-(2-{[(2S,3R,4R,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-hydroxyoxan-2-yl]oxy}-5-hydroxy-4-methylphenyl)-2,6,10-trimethyldodeca-2,6,10-trien-4-yl acetate
Other name (3):
  • 2-[(9R)-3,7,11-Trimethyl-9-acetoxy-2,6,10-dodecatrienyl]-4-hydroxy-5-methylphenyl 3-O,4-O,6-O-triacetyl-β-D-galactopyranoside
  • オイプレキシドB
  • Euplexide B
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