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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21NO6
Molecular Weight 395.4052
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLONOVOBIOCIC ACID

SMILES

CC1=C(O)C=CC2=C1OC(=O)C(NC(=O)C3=CC4=C(OC(C)(C)CC4)C=C3)=C2O

InChI

InChIKey=MWCZKKARWNYYQC-UHFFFAOYSA-N
InChI=1S/C22H21NO6/c1-11-15(24)6-5-14-18(25)17(21(27)28-19(11)14)23-20(26)13-4-7-16-12(10-13)8-9-22(2,3)29-16/h4-7,10,24-25H,8-9H2,1-3H3,(H,23,26)

HIDE SMILES / InChI

Molecular Formula C22H21NO6
Molecular Weight 395.4052
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 12:38:52 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:52 GMT 2023
Record UNII
P445UHD853
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLONOVOBIOCIC ACID
Common Name English
NSC-5157
Code English
N-(4,7-DIHYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL)-3,4-DIHYDRO-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-CARBOXAMIDE
Systematic Name English
N-(4,7-DIHYDROXY-8-METHYL-2-OXO-2H-CHROMEN-3-YL)-2,2-DIMETHYLCHROMANE-6-CARBOXAMIDE
Systematic Name English
2H-1-BENZOPYRAN-6-CARBOXAMIDE, N-(4,7-DIHYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL)-3,4-DIHYDRO-2,2-DIMETHYL-
Systematic Name English
COUMARIN, 3-(2,2-DIMETHYL-6-CHROMANCARBOXAMIDO)-4,7-DIHYDROXY-8-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90185476
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
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FDA UNII
P445UHD853
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
PRIMARY
PUBCHEM
54688361
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
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CAS
31589-45-4
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
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NSC
5157
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
PRIMARY