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

Details

Stereochemistry UNKNOWN
Molecular Formula C26H36O12
Molecular Weight 540.5568
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MENTHIAFOLIN

SMILES

[H][C@@]12CC(OC(=O)C(\C)=C\CCC(C)(O)C=C)OC(=O)C1=COC(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2C=C

InChI

InChIKey=FPDCQAOWJZHIQX-RQHRMXDNSA-N
InChI=1S/C26H36O12/c1-5-14-15-10-18(36-22(31)13(3)8-7-9-26(4,33)6-2)37-23(32)16(15)12-34-24(14)38-25-21(30)20(29)19(28)17(11-27)35-25/h5-6,8,12,14-15,17-21,24-25,27-30,33H,1-2,7,9-11H2,3-4H3/b13-8+/t14-,15+,17+,18?,19+,20-,21+,24?,25-,26?/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H36O12
Molecular Weight 540.5568
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 7 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:50:05 GMT 2023
Edited
by admin
on Fri Dec 15 21:50:05 GMT 2023
Record UNII
59RWM9G8TD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MENTHIAFOLIN
Common Name English
2,7-OCTADIENOIC ACID, 6-HYDROXY-2,6-DIMETHYL-, 5-ETHENYL-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,4A,5,6-TETRAHYDRO-1-OXO-1H,3H-PYRANO(3,4-C)PYRAN-3-YL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
76960104
Created by admin on Fri Dec 15 21:50:05 GMT 2023 , Edited by admin on Fri Dec 15 21:50:05 GMT 2023
PRIMARY
FDA UNII
59RWM9G8TD
Created by admin on Fri Dec 15 21:50:05 GMT 2023 , Edited by admin on Fri Dec 15 21:50:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID901102604
Created by admin on Fri Dec 15 21:50:05 GMT 2023 , Edited by admin on Fri Dec 15 21:50:05 GMT 2023
PRIMARY
CAS
19351-64-5
Created by admin on Fri Dec 15 21:50:05 GMT 2023 , Edited by admin on Fri Dec 15 21:50:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT