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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16O7
Molecular Weight 380.3475
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-(1,3-BENZODIOXOL-5-YL)-4-HYDROXY-6,7-DIMETHOXYNAPHTHO(2,3-C)FURAN-1(3H)-ONE

SMILES

COC1=C(OC)C=C2C(=C1)C(O)=C3COC(=O)C3=C2C4=CC=C5OCOC5=C4

InChI

InChIKey=VMEJANRODATDOF-UHFFFAOYSA-N
InChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H16O7
Molecular Weight 380.3475
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:54:02 GMT 2023
Edited
by admin
on Sat Dec 16 12:54:02 GMT 2023
Record UNII
W4PN5LDP26
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-(1,3-BENZODIOXOL-5-YL)-4-HYDROXY-6,7-DIMETHOXYNAPHTHO(2,3-C)FURAN-1(3H)-ONE
Systematic Name English
NAPHTHO(2,3-C)FURAN-1(3H)-ONE, 4-HYDROXY-6,7-DIMETHOXY-9-(3,4-(METHYLENEDIOXY)PHENYL)-
Systematic Name English
NSC-309691
Code English
NAPHTHO(2,3-C)FURAN-1(3H)-ONE, 9-(1,3-BENZODIOXOL-5-YL)-4-HYDROXY-6,7-DIMETHOXY-
Systematic Name English
DIPHYLLIN
Common Name English
Code System Code Type Description
PUBCHEM
100492
Created by admin on Sat Dec 16 12:54:02 GMT 2023 , Edited by admin on Sat Dec 16 12:54:02 GMT 2023
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CAS
22055-22-7
Created by admin on Sat Dec 16 12:54:02 GMT 2023 , Edited by admin on Sat Dec 16 12:54:02 GMT 2023
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WIKIPEDIA
Diphyllin
Created by admin on Sat Dec 16 12:54:02 GMT 2023 , Edited by admin on Sat Dec 16 12:54:02 GMT 2023
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FDA UNII
W4PN5LDP26
Created by admin on Sat Dec 16 12:54:02 GMT 2023 , Edited by admin on Sat Dec 16 12:54:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID20176534
Created by admin on Sat Dec 16 12:54:02 GMT 2023 , Edited by admin on Sat Dec 16 12:54:02 GMT 2023
PRIMARY
NSC
309691
Created by admin on Sat Dec 16 12:54:02 GMT 2023 , Edited by admin on Sat Dec 16 12:54:02 GMT 2023
PRIMARY