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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H48N4O6
Molecular Weight 596.7574
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STERCOBILINOGEN

SMILES

CC[C@@H]1[C@@H](C)C(=O)N[C@H]1CC2=C(C)C(CCC(O)=O)=C(CC3=C(CCC(O)=O)C(C)=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)N3)N2

InChI

InChIKey=VKGRRZVYCXLHII-OLFWPHQKSA-N
InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H48N4O6
Molecular Weight 596.7574
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
91VQJ22OZ5
Record Status Validated (UNII)
Record Version