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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H52O2
Molecular Weight 564.8397
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 7
Charge 0

SHOW SMILES / InChI
Structure of ALLOXANTHIN

SMILES

CC(\C=C\C=C(/C)C#CC1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C

InChI

InChIKey=DVICWXUADSCSLL-DDEWRDOISA-N
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H52O2
Molecular Weight 564.8397
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 7
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
G15L7OO8SQ
Record Status Validated (UNII)
Record Version