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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14O5
Molecular Weight 226.2259
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sarracenin

SMILES

[H][C@]12C[C@@H]3O[C@@H](C)[C@@]1([H])[C@H](OC=C2C(=O)OC)O3

InChI

InChIKey=QGBCGMGBGAHJIT-DANLAGSESA-N
InChI=1S/C11H14O5/c1-5-9-6-3-8(15-5)16-11(9)14-4-7(6)10(12)13-2/h4-6,8-9,11H,3H2,1-2H3/t5-,6+,8+,9+,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H14O5
Molecular Weight 226.2259
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:35:22 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:22 GMT 2023
Record UNII
SP5W2CT6D8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sarracenin
Common Name English
Methyl (1S,3S,7R,8R,9R)-9-methyl-2,4,10-trioxatricyclo[5.3.1.0<sup>3,8</sup>]undec-5-ene-6-carboxylate
Systematic Name English
2,5-Methano-4H,5H-pyrano[2,3-d]-1,3-dioxin-6-carboxylic acid, 4a,8a-dihydro-4-methyl-, methyl ester, (2R,4S,4aS,5S,8aR)-
Systematic Name English
2,5-Methano-4H,5H-pyrano[2,3-d]-1,3-dioxin-6-carboxylic acid, 4a,8a-dihydro-4-methyl-, methyl ester, [2R-(2α,4β,4aβ,5α,8aβ)]-
Systematic Name English
Code System Code Type Description
FDA UNII
SP5W2CT6D8
Created by admin on Sat Dec 16 19:35:22 GMT 2023 , Edited by admin on Sat Dec 16 19:35:22 GMT 2023
PRIMARY
PUBCHEM
131636889
Created by admin on Sat Dec 16 19:35:22 GMT 2023 , Edited by admin on Sat Dec 16 19:35:22 GMT 2023
PRIMARY
CAS
59653-37-1
Created by admin on Sat Dec 16 19:35:22 GMT 2023 , Edited by admin on Sat Dec 16 19:35:22 GMT 2023
PRIMARY
WIKIPEDIA
Sarracenin
Created by admin on Sat Dec 16 19:35:22 GMT 2023 , Edited by admin on Sat Dec 16 19:35:22 GMT 2023
PRIMARY