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Details

Stereochemistry ACHIRAL
Molecular Formula C33H34N4O6
Molecular Weight 582.6463
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of PTEROBILIN

SMILES

CC1=C(CCC(O)=O)C(=O)N\C1=C\C2=C(C)C(C=C)=C(N2)\C=C3\N=C(\C=C4/NC(=O)C(CCC(O)=O)=C4C)C(C=C)=C3C

InChI

InChIKey=DRWWZUJKIFZYSM-KZURTQODSA-N
InChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-18(5)22(32(42)36-26)9-11-30(38)39)34-28(20)14-25-17(4)21(8-2)29(35-25)15-27-19(6)23(33(43)37-27)10-12-31(40)41/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b25-14+,26-13+,27-15-

HIDE SMILES / InChI

Molecular Formula C33H34N4O6
Molecular Weight 582.6463
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
ZEK8SD9LJN
Record Status Validated (UNII)
Record Version