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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25ClO5
Molecular Weight 428.905
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of EMEGUISIN B

SMILES

COC1=C(C)C2=C(C(=C1)C(\C)=C\C)C(=O)OC3=C(C)C(O)=C(Cl)C(\C(C)=C/C)=C3O2

InChI

InChIKey=RQNMKGDKKQRCKL-OJOCYUAFSA-N
InChI=1S/C24H25ClO5/c1-8-11(3)15-10-16(28-7)13(5)21-18(15)24(27)30-22-14(6)20(26)19(25)17(12(4)9-2)23(22)29-21/h8-10,26H,1-7H3/b11-8+,12-9-

HIDE SMILES / InChI

Molecular Formula C24H25ClO5
Molecular Weight 428.905
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:48:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:48:27 GMT 2023
Record UNII
3CC7XA6T9D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMEGUISIN B
Common Name English
NSC-625060
Code English
7-Chloro-8-hydroxy-3-methoxy-4,9-dimethyl-1,6-bis(1-methyl-1-propenyl)-11H-dibenzo(b,e)(1,4)dioxepin-11-one
Systematic Name English
Code System Code Type Description
PUBCHEM
6451094
Created by admin on Sat Dec 16 12:48:27 GMT 2023 , Edited by admin on Sat Dec 16 12:48:27 GMT 2023
PRIMARY
NSC
625060
Created by admin on Sat Dec 16 12:48:27 GMT 2023 , Edited by admin on Sat Dec 16 12:48:27 GMT 2023
PRIMARY
FDA UNII
3CC7XA6T9D
Created by admin on Sat Dec 16 12:48:27 GMT 2023 , Edited by admin on Sat Dec 16 12:48:27 GMT 2023
PRIMARY
CAS
117032-55-0
Created by admin on Sat Dec 16 12:48:27 GMT 2023 , Edited by admin on Sat Dec 16 12:48:27 GMT 2023
PRIMARY