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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18O5
Molecular Weight 302.3218
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isomucronulatol, (-)-

SMILES

COC1=C(OC)C(O)=C(C=C1)[C@@H]2COC3=C(C2)C=CC(O)=C3

InChI

InChIKey=NQRBAPDEZYMKFL-NSHDSACASA-N
InChI=1S/C17H18O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18O5
Molecular Weight 302.3218
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:12:10 GMT 2025
Edited
by admin
on Wed Apr 02 07:12:10 GMT 2025
Record UNII
B469827XFN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-Isomucronulatol
Preferred Name English
Isomucronulatol, (-)-
Common Name English
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-, (3R)-
Systematic Name English
(3R)-7,2?-Dihydroxy-3?,4?-dimethoxyisoflavan
Systematic Name English
(R)-Isomucronulatol
Common Name English
(3R)-3,4-Dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-2H-1-benzopyran-7-ol
Systematic Name English
(R)-3-(2-Hydroxy-3,4-dimethoxyphenyl)chroman-7-ol
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001350092
Created by admin on Wed Apr 02 07:12:10 GMT 2025 , Edited by admin on Wed Apr 02 07:12:10 GMT 2025
PRIMARY
PUBCHEM
10380176
Created by admin on Wed Apr 02 07:12:10 GMT 2025 , Edited by admin on Wed Apr 02 07:12:10 GMT 2025
PRIMARY
FDA UNII
B469827XFN
Created by admin on Wed Apr 02 07:12:10 GMT 2025 , Edited by admin on Wed Apr 02 07:12:10 GMT 2025
PRIMARY
CAS
64474-51-7
Created by admin on Wed Apr 02 07:12:10 GMT 2025 , Edited by admin on Wed Apr 02 07:12:10 GMT 2025
PRIMARY
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