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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32O12
Molecular Weight 524.5144
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LIGSTROSIDE

SMILES

[H][C@@]2(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C([C@@H](CC(=O)OCCC3=CC=C(O)C=C3)\C2=C/C)C(=O)OC

InChI

InChIKey=GMQXOLRKJQWPNB-MVVLSVRYSA-N
InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LIGSTROSIDE
Common Name English
LIGUSTROSIDE
Common Name English
2H-PYRAN-4-ACETIC ACID, 3-ETHYLIDENE-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, 2-(4-HYDROXYPHENYL)ETHYL ESTER, (2S,3E,4S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701318124
Created by admin on Sat Dec 16 01:54:44 GMT 2023 , Edited by admin on Sat Dec 16 01:54:44 GMT 2023
PRIMARY
FDA UNII
83S9SA69C5
Created by admin on Sat Dec 16 01:54:44 GMT 2023 , Edited by admin on Sat Dec 16 01:54:44 GMT 2023
PRIMARY
CAS
35897-92-8
Created by admin on Sat Dec 16 01:54:44 GMT 2023 , Edited by admin on Sat Dec 16 01:54:44 GMT 2023
PRIMARY
PUBCHEM
14136859
Created by admin on Sat Dec 16 01:54:44 GMT 2023 , Edited by admin on Sat Dec 16 01:54:44 GMT 2023
PRIMARY
WIKIPEDIA
Ligstroside
Created by admin on Sat Dec 16 01:54:44 GMT 2023 , Edited by admin on Sat Dec 16 01:54:44 GMT 2023
PRIMARY