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Details

Stereochemistry RACEMIC
Molecular Formula C24H26O7
Molecular Weight 426.459
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Anomalin, (±)-

SMILES

C\C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)C(\C)=C/C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12

InChI

InChIKey=PNTWXEIQXBRCPS-UWOGZXHISA-N
InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Anomalin, (±)-
Common Name English
(±)-Praeruptorin B
Preferred Name English
2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b?]dipyran-9,10-diyl ester, [9?(Z),10?(Z)]-(±)-
Systematic Name English
2-Butenoic acid, 2-methyl-, (9R,10R)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b?]dipyran-9,10-diyl ester, (2Z,2?Z)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
L7296ACU3S
Created by admin on Wed Apr 02 20:34:30 GMT 2025 , Edited by admin on Wed Apr 02 20:34:30 GMT 2025
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CAS
73069-26-8
Created by admin on Wed Apr 02 20:34:30 GMT 2025 , Edited by admin on Wed Apr 02 20:34:30 GMT 2025
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