Chem
J-GLOBAL ID：200907036483962139   Nikkaji number：J1.939.127B

4-O-[4-O-[4-O-[4-O-[4-O-(6-O-Methyl-α-D-galactopyranuronosyl)-6-O-methyl-α-D-galactopyranuronosyl]-α-D-galactopyranuronosyl]-α-D-galactopyranuronosyl]-α-D-galactopyranuronosyl]-6-oxo-6-O-methyl-D-galactopyranose

4-O-[4-O-[4-O-[4-O-[4-O-(6-O-メチル-α-D-ガラクトピラヌロノシル)-6-O-メチル-α-D-ガラクトピラヌロノシル]-α-D-ガラクトピラヌロノシル]-α-D-ガラクトピラヌロノシル]-α-D-ガラクトピラヌロノシル]-6-オキソ-6-O-メチル-D-ガラクトピラノース
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： C39H56O37
Molecular formula furigana： C39-H56-O37
Molecular weight： 1116.840
InChI： InChI=1S/C39H56O37/c1-63-32(60)22-5(41)4(40)12(48)35(72-22)71-21-10(46)16(52)39(76-27(21)34(62)65-3)69-19-8(44)14(50)37(74-25(19)30(57)58)67-17-7(43)13(49)36(73-23(17)28(53)54)68-18-9(45)15(51)38(75-24(18)29(55)56)70-20-6(42)11(47)31(59)66-26(20)33(61)64-2/h4-27,31,35-52,59H,1-3H3,(H,53,54)(H,55,56)(H,57,58)/t4-,5+,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25-,26-,27-,31?,35-,36-,37-,38-,39-/m0/s1
InChI key： GURNLSMZTYFDIS-JNKYKCKVSA-N
SMILES： COC(=O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6C(=O)OC)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)OC)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • 4-O-[4-O-[4-O-[4-O-[4-O-(6-O-メチル-α-D-ガラクトピラヌロノシル)-6-O-メチル-α-D-ガラクトピラヌロノシル]-α-D-ガラクトピラヌロノシル]-α-D-ガラクトピラヌロノシル]-α-D-ガラクトピラヌロノシル]-6-オキソ-6-O-メチル-D-ガラクトピラノース
  • 4-O-[4-O-[4-O-[4-O-[4-O-(6-オキソ-6-O-メチル-α-D-ガラクトピラノシル)-6-オキソ-6-O-メチル-α-D-ガラクトピラノシル]-6-オキソ-α-D-ガラクトピラノシル]-6-オキソ-α-D-ガラクトピラノシル]-6-オキソ-α-D-ガラクトピラノシル]-D-ガラクトピラヌロン酸メチル
  • (2S,3R,4R,5R,6S)-6-{[(2S,3R,4R,5R,6S)-2-カルボキシ-6-{[(2S,3R,4R,5R,6S)-2-カルボキシ-4,5-ジヒドロキシ-6-{[(2S,3R,4R,5R)-4,5,6-トリヒドロキシ-2-(メトキシカルボニル)オキサン-3-イル]オキシ}オキサン-3-イル]オキシ}-4,5-ジヒドロキシオキサン-3-イル]オキシ}-3-{[(2S,3R,4R,5R,6S)-3,4-ジヒドロキシ-6-(メトキシカルボニル)-5-{[(2S,3R,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(メトキシカルボニル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-カルボン酸
  • (2S,3R,4R,5R,6S)-6-{[(2S,3R,4R,5R,6S)-2-carboxy-6-{[(2S,3R,4R,5R,6S)-2-carboxy-4,5-dihydroxy-6-{[(2S,3R,4R,5R)-4,5,6-trihydroxy-2-(methoxycarbonyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4-dihydroxy-6-(methoxycarbonyl)-5-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid
Other name (2)：
  • 4-O-[4-O-[4-O-[4-O-[4-O-(6-O-Methyl-α-D-galactopyranuronosyl)-6-O-methyl-α-D-galactopyranuronosyl]-α-D-galactopyranuronosyl]-α-D-galactopyranuronosyl]-α-D-galactopyranuronosyl]-6-oxo-6-O-methyl-D-galactopyranose
  • 4-O-[4-O-[4-O-[4-O-[4-O-(6-Oxo-6-O-methyl-α-D-galactopyranosyl)-6-oxo-6-O-methyl-α-D-galactopyranosyl]-6-oxo-α-D-galactopyranosyl]-6-oxo-α-D-galactopyranosyl]-6-oxo-α-D-galactopyranosyl]-D-galactopyranuronic acid methyl ester
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