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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H46N4O6
Molecular Weight 594.7415
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STERCOBILIN

SMILES

CC[C@H]1[C@H](CC2=C(C)C(CCC(O)=O)=C(N2)\C=C3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(C)=C3CCC(O)=O)NC(=O)[C@@H]1C

InChI

InChIKey=DEEUSUJLZQQESV-BQUSTMGCSA-N
InChI=1S/C33H46N4O6/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/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t16-,19-,20-,21-,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H46N4O6
Molecular Weight 594.7415
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
17G380DO11
Record Status Validated (UNII)
Record Version