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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16O5
Molecular Weight 300.3059
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Melilotocarpan A

SMILES

COC1=CC2=C(C=C1)[C@@H]3COC4=C(C=CC(OC)=C4O)[C@@H]3O2

InChI

InChIKey=YHSXPHNOIMTWTH-LRDDRELGSA-N
InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3/t12-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16O5
Molecular Weight 300.3059
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 Wed Apr 02 05:44:47 GMT 2025
Edited
by admin
on Wed Apr 02 05:44:47 GMT 2025
Record UNII
C8GUD7FQ4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Homopterocarpinol
Preferred Name English
Melilotocarpan A
Common Name English
Melilotocarpan A, (-)-
Common Name English
(6aR,11aR)-6a,11a-Dihydro-3,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-4-ol
Systematic Name English
6H-Benzofuro[3,2-c][1]benzopyran-4-ol, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-
Systematic Name English
(6AR,11AR)-3,9-DIMETHOXY-6A,11A-DIHYDRO-6H-(1)BENZOFURO(3,2-C)CHROMEN-4-OL
Systematic Name English
4-Hydroxyhomopterocarpin
Common Name English
Code System Code Type Description
CAS
61135-95-3
Created by admin on Wed Apr 02 05:44:47 GMT 2025 , Edited by admin on Wed Apr 02 05:44:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID70331954
Created by admin on Wed Apr 02 05:44:47 GMT 2025 , Edited by admin on Wed Apr 02 05:44:47 GMT 2025
PRIMARY
FDA UNII
C8GUD7FQ4N
Created by admin on Wed Apr 02 05:44:47 GMT 2025 , Edited by admin on Wed Apr 02 05:44:47 GMT 2025
PRIMARY
PUBCHEM
442792
Created by admin on Wed Apr 02 05:44:47 GMT 2025 , Edited by admin on Wed Apr 02 05:44:47 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER