13-[[6-O-Acetyl-2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy]docosanoic acid

CAS Registry Number®

20246-59-7

CAS Name

13-[[6-O-Acetyl-2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy]docosanoic acid

Molecular Formula

C38H68O15

Molecular Mass

764.94

Cite this Page

13-[[6-O-Acetyl-2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy]docosanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20246-59-7 (retrieved 2024-11-26) (CAS RN: 20246-59-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H68O15/c1-4-5-6-7-11-14-17-20-27(21-18-15-12-9-8-10-13-16-19-22-30(41)42)50-38-36(34(46)32(44)29(52-38)24-49-26(3)40)53-37-35(47)33(45)31(43)28(51-37)23-48-25(2)39/h27-29,31-38,43-47H,4-24H2,1-3H3,(H,41,42)/t27?,28-,29-,31-,32-,33+,34+,35-,36-,37+,38-/m1/s1

InChIKey

InChIKey=LGIFCELMJBBHMO-SGQFWHNCSA-N

SMILES

O(C(CCCCCCCCCCCC(O)=O)CCCCCCCCC)[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O1

Canonical SMILES

O=C(O)CCCCCCCCCCCC(OC1OC(COC(=O)C)C(O)C(O)C1OC2OC(COC(=O)C)C(O)C(O)C2O)CCCCCCCCC

Other Names for this Substance

  • Docosanoic acid, 13-[[6-O-acetyl-2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy]-
  • Docosanoic acid, 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, diacetate
  • 13-[[6-O-Acetyl-2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy]docosanoic acid

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