Trehalose 6,6?-dibehenate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H106O13
Molecular Weight	987.433
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZLJJDBSDZSZVTF-LXOQPCSCSA-N

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

HIDE SMILES / InChI

Molecular Formula	C56H106O13
Molecular Weight	987.433
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:26:20 GMT 2025` Edited by `admin` on `Wed Apr 02 06:26:20 GMT 2025`
Record UNII	672NB7JH7R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,6'-DIBEHENOYL-ALPHA,ALPHA'-TREHALOSE

Preferred Name

English

Trehalose 6,6?-dibehenate

Common Name

English

((2R,3S,4S,5S,6S)-6-((2R,3S,4R,5S,6S)-6-(DOCOSANOYLOXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL)OXY-3,4,5-TRIS(OXIDANYL)OXAN-2-YL)METHYL DOCOSANOATE

Systematic Name

English

?-D-Glucopyranoside, 6-O-(1-oxodocosyl)-?-D-glucopyranosyl, 6-docosanoate

Systematic Name

English

Trehalose-6,6-dibehenate

Common Name

English

Code System Code Type Description

FDA UNII

672NB7JH7R

Created by admin on Wed Apr 02 06:26:20 GMT 2025 , Edited by admin on Wed Apr 02 06:26:20 GMT 2025

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CAS

66758-35-8

Created by admin on Wed Apr 02 06:26:20 GMT 2025 , Edited by admin on Wed Apr 02 06:26:20 GMT 2025

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EPA CompTox

DTXSID30457482

Created by admin on Wed Apr 02 06:26:20 GMT 2025 , Edited by admin on Wed Apr 02 06:26:20 GMT 2025

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PUBCHEM

11170611

Created by admin on Wed Apr 02 06:26:20 GMT 2025 , Edited by admin on Wed Apr 02 06:26:20 GMT 2025

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