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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H26O4
Molecular Weight 330.4188
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROGUAIARETIC ACID, MESO-

SMILES

C[C@@]([H])(Cc1ccc(c(c1)OC)O)[C@]([H])(C)Cc2ccc(c(c2)OC)O

InChI

InChIKey=ADFOLUXMYYCTRR-OKILXGFUSA-N
InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+

HIDE SMILES / InChI

Molecular Formula C20H26O4
Molecular Weight 330.4188
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:36:46 UTC 2021
Edited
by admin
on Sat Jun 26 16:36:46 UTC 2021
Record UNII
S81Z40PSJ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROGUAIARETIC ACID, MESO-
Common Name English
PHENOL, 4,4'-(2,3-DIMETHYL-1,4-BUTANEDIYL)BIS(2-METHOXY-, (R*,S*)-
Systematic Name English
REL-4,4'-((2R,3S)-2,3-DIMETHYL-1,4-BUTANEDIYL)BIS(2-METHOXYPHENOL)
Systematic Name English
PHENOL, 4,4'-((2R,3S)-2,3-DIMETHYL-1,4-BUTANEDIYL)BIS(2-METHOXY-, REL-
Systematic Name English
GUAIACOL, 4,4'-(2,3-DIMETHYLTETRAMETHYLENE)DI-, MESO-
Systematic Name English
DIHYDROGUAIARETIC ACID
Common Name English
MESO-DIHYDROGUAIARETIC ACID
Common Name English
Code System Code Type Description
CAS
66322-34-7
Created by admin on Sat Jun 26 16:36:46 UTC 2021 , Edited by admin on Sat Jun 26 16:36:46 UTC 2021
PRIMARY
PUBCHEM
476856
Created by admin on Sat Jun 26 16:36:46 UTC 2021 , Edited by admin on Sat Jun 26 16:36:46 UTC 2021
PRIMARY
CAS
36469-60-0
Created by admin on Sat Jun 26 16:36:46 UTC 2021 , Edited by admin on Sat Jun 26 16:36:46 UTC 2021
NON-SPECIFIC STOICHIOMETRY
FDA UNII
S81Z40PSJ4
Created by admin on Sat Jun 26 16:36:46 UTC 2021 , Edited by admin on Sat Jun 26 16:36:46 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT