Methyl 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]docosanoate
CAS Registry Number®
35746-26-0
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CAS Name
Methyl 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]docosanoateMolecular Formula
C35H66O13Molecular Mass
694.89Cite this Page
Methyl 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]docosanoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=35746-26-0 (retrieved ) (CAS RN: 35746-26-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C35H66O13/c1-3-4-5-6-10-13-16-19-24(20-17-14-11-8-7-9-12-15-18-21-27(38)44-2)45-35-33(31(42)29(40)26(23-37)47-35)48-34-32(43)30(41)28(39)25(22-36)46-34/h24-26,28-37,39-43H,3-23H2,1-2H3/t24?,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-/m1/s1
InChIKey
InChIKey=NKQRPULMZRZDJA-IPORWCFUSA-N
SMILES
O([C@H]1[C@H](OC(CCCCCCCCCCCC(OC)=O)CCCCCCCCC)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
Canonical SMILES
O=C(OC)CCCCCCCCCCCC(OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)CCCCCCCCC
Other Names for this Substance
- Docosanoic acid, 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, methyl ester
- Methyl 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]docosanoate
- Methyl 13-glucopyranosylglucopyranosyloxydocosanoate
