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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO8
Molecular Weight 449.4941
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of THESININE-4'-O-.BETA.-D-GLUCOSIDE

SMILES

[H][C@]12CCCN1CC[C@H]2COC(=O)\C=C\C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3

InChI

InChIKey=VRWXOVDCMDXQDO-VDEBYVOPSA-N
InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2/b8-5+/t15-,17+,18+,20+,21-,22+,23+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
THESININE-4'-O-.BETA.-D-GLUCOSIDE
Common Name English
2-PROPENOIC ACID, 3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-, ((1R,7AR)-HEXAHYDRO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (2E)-
Common Name English
Code System Code Type Description
CAS
460730-79-4
Created by admin on Fri Dec 15 21:50:11 GMT 2023 , Edited by admin on Fri Dec 15 21:50:11 GMT 2023
PRIMARY
PUBCHEM
90478759
Created by admin on Fri Dec 15 21:50:11 GMT 2023 , Edited by admin on Fri Dec 15 21:50:11 GMT 2023
PRIMARY
FDA UNII
DPG1D4BJHB
Created by admin on Fri Dec 15 21:50:11 GMT 2023 , Edited by admin on Fri Dec 15 21:50:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID30196708
Created by admin on Fri Dec 15 21:50:11 GMT 2023 , Edited by admin on Fri Dec 15 21:50:11 GMT 2023
PRIMARY