Chem
J-GLOBAL ID：200907031124607844   Nikkaji number：J2.118.214A

Methyl 2-O-(4-pentenoyl)-3-O,4-O-[(2S,4E)-1,8-dioxo-2-methyl-4-octene-1,8-diyl]-6-O-trityl-α-D-glucopyranoside

メチル2-O-(4-ペンテノイル)-3-O,4-O-[(2S,4E)-1,8-ジオキソ-2-メチル-4-オクテン-1,8-ジイル]-6-O-トリチル-α-D-グルコピラノシド
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： C40H44O9
Molecular formula furigana： C40-H44-O9
Molecular weight： 668.783
InChI： InChI=1S/C40H44O9/c1-4-5-25-33(41)48-37-36-35(47-34(42)26-17-6-10-18-28(2)38(43)49-36)32(46-39(37)44-3)27-45-40(29-19-11-7-12-20-29,30-21-13-8-14-22-30)31-23-15-9-16-24-31/h4,6-16,19-24,28,32,35-37,39H,1,5,17-18,25-27H2,2-3H3/b10-6+/t28-,32+,35+,36-,37+,39-/m0/s1
InChI key： ROKFOCPPDVAIOP-NLVFGPIZSA-N
SMILES： CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(=O)CC/C=C/C[C@H](C)C(=O)O[C@@H]2[C@H]1OC(=O)CCC=C
Systematic name  (3)：
  • メチル2-O-(4-ペンテノイル)-3-O,4-O-[(2S,4E)-1,8-ジオキソ-2-メチル-4-オクテン-1,8-ジイル]-6-O-トリチル-α-D-グルコピラノシド
  • (3S,10aR,11R,13S,14R,14aS)-13-メトキシ-3-メチル-2,9-ジオキソ-11-[(トリフェニルメトキシ)メチル]-2H,3H,4H,7H,8H,9H,10aH,11H,13H,14H,14aH-ピラノ[3,4-b]1,4-ジオキサシクロドデカン-14-イル ペンタ-4-エノアート
  • (3S,10aR,11R,13S,14R,14aS)-13-methoxy-3-methyl-2,9-dioxo-11-[(triphenylmethoxy)methyl]-2H,3H,4H,7H,8H,9H,10aH,11H,13H,14H,14aH-pyrano[3,4-b]1,4-dioxacyclododecan-14-yl pent-4-enoate
Other name (1)：
  • Methyl 2-O-(4-pentenoyl)-3-O,4-O-[(2S,4E)-1,8-dioxo-2-methyl-4-octene-1,8-diyl]-6-O-trityl-α-D-glucopyranoside
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