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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O4
Molecular Weight 328.4022
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOGUAIACIN

SMILES

COC1=CC2=C(C=C1O)[C@H]([C@H](C)[C@H](C)C2)C3=CC(OC)=C(O)C=C3

InChI

InChIKey=TZAAYUCUPIYQBR-FKANQGBASA-N
InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24O4
Molecular Weight 328.4022
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:50:49 GMT 2025
Edited
by admin
on Tue Apr 01 19:50:49 GMT 2025
Record UNII
F803X9JE3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOGUAIACIN
Common Name English
(6R,7R,8R)-5,6,7,8-TETRAHYDRO-8-(4-HYDROXY-3-METHOXYPHENYL)-3-METHOXY-6,7-DIMETHYL-2-NAPHTHALENOL
Preferred Name English
2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-8-(4-HYDROXY-3-METHOXYPHENYL)-3-METHOXY-6,7-DIMETHYL-, (6R-(6.ALPHA.,7.ALPHA.,8.BETA.))-
Systematic Name English
Code System Code Type Description
CAS
78341-26-1
Created by admin on Tue Apr 01 19:50:49 GMT 2025 , Edited by admin on Tue Apr 01 19:50:49 GMT 2025
PRIMARY
PUBCHEM
10314441
Created by admin on Tue Apr 01 19:50:49 GMT 2025 , Edited by admin on Tue Apr 01 19:50:49 GMT 2025
PRIMARY
FDA UNII
F803X9JE3W
Created by admin on Tue Apr 01 19:50:49 GMT 2025 , Edited by admin on Tue Apr 01 19:50:49 GMT 2025
PRIMARY