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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16O5
Molecular Weight 348.3487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALOPOGONIUMISOFLAVONE B

SMILES

CC1(C)OC2=CC=C3C(=O)C(=COC3=C2C=C1)C4=CC5=C(OCO5)C=C4

InChI

InChIKey=WVHJQUXAKZCXEP-UHFFFAOYSA-N
InChI=1S/C21H16O5/c1-21(2)8-7-13-16(26-21)6-4-14-19(22)15(10-23-20(13)14)12-3-5-17-18(9-12)25-11-24-17/h3-10H,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H16O5
Molecular Weight 348.3487
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 12:40:59 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:59 GMT 2023
Record UNII
QDZ8Y2HK9K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALOPOGONIUMISOFLAVONE B
Common Name English
4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE, 3-(1,3-BENZODIOXOL-5-YL)-8,8-DIMETHYL-
Systematic Name English
NSC-604842
Code English
3-(1,3-BENZODIOXOL-5-YL)-8,8-DIMETHYL-4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
QDZ8Y2HK9K
Created by admin on Sat Dec 16 12:40:59 GMT 2023 , Edited by admin on Sat Dec 16 12:40:59 GMT 2023
PRIMARY
NSC
604842
Created by admin on Sat Dec 16 12:40:59 GMT 2023 , Edited by admin on Sat Dec 16 12:40:59 GMT 2023
PRIMARY
PUBCHEM
182342
Created by admin on Sat Dec 16 12:40:59 GMT 2023 , Edited by admin on Sat Dec 16 12:40:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID10978100
Created by admin on Sat Dec 16 12:40:59 GMT 2023 , Edited by admin on Sat Dec 16 12:40:59 GMT 2023
PRIMARY
CAS
62502-14-1
Created by admin on Sat Dec 16 12:40:59 GMT 2023 , Edited by admin on Sat Dec 16 12:40:59 GMT 2023
PRIMARY