Chem
J-GLOBAL ID:200907026042049653   Nikkaji number:J2.388.949H

15-(4-O-α-D-Glucopyranosyl-β-D-glucopyranosyloxy)pentadecanoic acid methyl ester

15-(4-O-α-D-グルコピラノシル-β-D-グルコピラノシルオキシ)ペンタデカン酸メチル
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: C28H52O13
Molecular formula furigana: C28-H52-O13
Molecular weight: 596.711
InChI: InChI=1S/C28H52O13/c1-37-20(31)14-12-10-8-6-4-2-3-5-7-9-11-13-15-38-27-25(36)23(34)26(19(17-30)40-27)41-28-24(35)22(33)21(32)18(16-29)39-28/h18-19,21-30,32-36H,2-17H2,1H3/t18-,19-,21-,22+,23-,24-,25-,26-,27-,28-/m1/s1
InChI key: NJTWJMDCHJZOLX-CWBGAEIDSA-N
SMILES: COC(=O)CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 15-(4-O-α-D-グルコピラノシル-β-D-グルコピラノシルオキシ)ペンタデカン酸メチル
  • メチル 15-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2R,3R,4S,5S,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}オキサン-2-イル]オキシ}ペンタデカノアート
  • methyl 15-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}pentadecanoate
Other name (1):
  • 15-(4-O-α-D-Glucopyranosyl-β-D-glucopyranosyloxy)pentadecanoic acid methyl ester
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