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Details

Stereochemistry UNKNOWN
Molecular Formula C26H36O12
Molecular Weight 540.5579
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MENTHIAFOLIN

SMILES

C=C[C@]1([H])[C@]2([H])CC([H])(OC(=O)/C(=C(\[H])/CCC(C)(C=C)O)/C)OC(=O)C2=COC1([H])O[C@]3([H])[C@]([H])([C@@]([H])([C@]([H])([C@]([H])(CO)O3)O)O)O

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 540.5579
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 Sat Jun 26 13:20:56 UTC 2021
Edited
by admin
on Sat Jun 26 13:20:56 UTC 2021
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 Sat Jun 26 13:20:56 UTC 2021 , Edited by admin on Sat Jun 26 13:20:56 UTC 2021
PRIMARY
FDA UNII
59RWM9G8TD
Created by admin on Sat Jun 26 13:20:56 UTC 2021 , Edited by admin on Sat Jun 26 13:20:56 UTC 2021
PRIMARY
CAS
19351-64-5
Created by admin on Sat Jun 26 13:20:56 UTC 2021 , Edited by admin on Sat Jun 26 13:20:56 UTC 2021
PRIMARY
Related Record Type Details
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