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Details

Stereochemistry ABSOLUTE
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

Molecular Formula C24H26O7
Molecular Weight 426.459
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:17:59 GMT 2025
Edited
by admin
on Wed Apr 02 19:17:59 GMT 2025
Record UNII
V7CP6WJ592
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-Anomalin
Preferred Name English
Anomalin, (+)-
Common Name English
(9S,10S)-8,8-Dimethyl-10-{[(2Z)-2-methyl-2-butenoyl]oxy}-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methyl-2-butenoate
Systematic Name English
(+)-Praeruptorin B
Common Name English
Praeruptorin B
Common Name English
2-Butenoic acid, 2-methyl-, (9S,10S)-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)-
Systematic Name English
Code System Code Type Description
CAS
73069-28-0
Created by admin on Wed Apr 02 19:17:59 GMT 2025 , Edited by admin on Wed Apr 02 19:17:59 GMT 2025
PRIMARY
PUBCHEM
25717254
Created by admin on Wed Apr 02 19:17:59 GMT 2025 , Edited by admin on Wed Apr 02 19:17:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID401350082
Created by admin on Wed Apr 02 19:17:59 GMT 2025 , Edited by admin on Wed Apr 02 19:17:59 GMT 2025
PRIMARY
FDA UNII
V7CP6WJ592
Created by admin on Wed Apr 02 19:17:59 GMT 2025 , Edited by admin on Wed Apr 02 19:17:59 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
RACEMATE -> ENANTIOMER