Trehalose 6,6′-dibehenate

CAS Registry Number®

66758-35-8

CAS Name

Trehalose 6,6′-dibehenate

Molecular Formula

C56H106O13

Molecular Mass

987.43

Cite this Page

Trehalose 6,6′-dibehenate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66758-35-8 (retrieved 2024-11-22) (CAS RN: 66758-35-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H106O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(57)65-43-45-49(59)51(61)53(63)55(67-45)69-56-54(64)52(62)50(60)46(68-56)44-66-48(58)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-56,59-64H,3-44H2,1-2H3/t45-,46-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1

InChIKey

InChIKey=ZLJJDBSDZSZVTF-LXOQPCSCSA-N

SMILES

O([C@H]1O[C@H](COC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@H](COC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(OCC1OC(OC2OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • α-D-Glucopyranoside, 6-O-(1-oxodocosyl)-α-D-glucopyranosyl, 6-docosanoate
  • Trehalose 6,6′-dibehenate
  • Trehalose-6,6-dibehenate

Deleted or Replaced CAS Registry Numbers

73078-77-0, 160112-43-6