U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C20H26O7
Molecular Weight 378.4162
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (4E)-1-(2-HYDROXYETHYL)-4-DODECENE-6,8,10-TRIYN-1-YL .BETA.-D-GLUCOPYRANOSIDE

SMILES

CC#CC#CC#C\C=C\CCC(CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=BBDICNGPTGOCAK-CKPIDSMRSA-N
InChI=1S/C20H26O7/c1-2-3-4-5-6-7-8-9-10-11-15(12-13-21)26-20-19(25)18(24)17(23)16(14-22)27-20/h8-9,15-25H,10-14H2,1H3/b9-8+/t15?,16-,17-,18+,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H26O7
Molecular Weight 378.4162
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:07:16 GMT 2023
Edited
by admin
on Sat Dec 16 18:07:16 GMT 2023
Record UNII
G43QSS9F8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4E)-1-(2-HYDROXYETHYL)-4-DODECENE-6,8,10-TRIYN-1-YL .BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDE, (4E)-1-(2-HYDROXYETHYL)-4-DODECENE-6,8,10-TRIYNYL
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDE, 1-(2-HYDROXYETHYL)-4-DODECENE-6,8,10-TRIYNYL, (E)-
Systematic Name English
3.BETA.-D-GLUCOPYRANOSYL-1-HYDROXY-6(E)-TETRADECENE-8,10,12-TRIYNE
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (4E)-1-(2-HYDROXYETHYL)-4-DODECENE-6,8,10-TRIYN-1-YL
Systematic Name English
Code System Code Type Description
FDA UNII
G43QSS9F8T
Created by admin on Sat Dec 16 18:07:16 GMT 2023 , Edited by admin on Sat Dec 16 18:07:16 GMT 2023
PRIMARY
PUBCHEM
10362268
Created by admin on Sat Dec 16 18:07:16 GMT 2023 , Edited by admin on Sat Dec 16 18:07:16 GMT 2023
PRIMARY
CAS
143305-04-8
Created by admin on Sat Dec 16 18:07:16 GMT 2023 , Edited by admin on Sat Dec 16 18:07:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT