Trehalose 6,6′-dibehenate
CAS Registry Number®
66758-35-8
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CAS Name
Trehalose 6,6′-dibehenateMolecular Formula
C56H106O13Molecular Mass
987.43Cite 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 ) (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
