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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO3
Molecular Weight 287.3535
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of THESININE

SMILES

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

InChI

InChIKey=FQVNMXZPGWLUFZ-BNVCYRGBSA-N
InChI=1S/C17H21NO3/c19-15-6-3-13(4-7-15)5-8-17(20)21-12-14-9-11-18-10-1-2-16(14)18/h3-8,14,16,19H,1-2,9-12H2/b8-5+/t14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO3
Molecular Weight 287.3535
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:45:54 GMT 2023
Edited
by admin
on Fri Dec 15 19:45:54 GMT 2023
Record UNII
XQX78QNQ57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THESININE
Common Name English
(-)-Thesinine
Common Name English
[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl(E)-3-(4-hydroxyphenyl)prop-2-enoate
Systematic Name English
[(1R,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate
Systematic Name English
Isoretronecanol, p-hydroxycinnamate
Common Name English
2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester, (2E)-
Systematic Name English
Code System Code Type Description
CAS
488-02-8
Created by admin on Fri Dec 15 19:45:54 GMT 2023 , Edited by admin on Fri Dec 15 19:45:54 GMT 2023
PRIMARY
PUBCHEM
6452120
Created by admin on Fri Dec 15 19:45:54 GMT 2023 , Edited by admin on Fri Dec 15 19:45:54 GMT 2023
PRIMARY
WIKIPEDIA
Thesinine
Created by admin on Fri Dec 15 19:45:54 GMT 2023 , Edited by admin on Fri Dec 15 19:45:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID201031604
Created by admin on Fri Dec 15 19:45:54 GMT 2023 , Edited by admin on Fri Dec 15 19:45:54 GMT 2023
PRIMARY
FDA UNII
XQX78QNQ57
Created by admin on Fri Dec 15 19:45:54 GMT 2023 , Edited by admin on Fri Dec 15 19:45:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT