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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H72N2O17
Molecular Weight 877.0243
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-erythromycin ethylsuccinate

SMILES

CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)N=O

InChI

InChIKey=IZYMFPHTADHJQO-UCYLELOBSA-N
InChI=1S/C42H72N2O17/c1-14-28-42(11,52)35(48)23(5)32(47)21(3)19-40(9,51)37(24(6)33(25(7)38(50)58-28)60-31-20-41(10,54-13)36(49)26(8)57-31)61-39-34(27(44(12)43-53)18-22(4)56-39)59-30(46)17-16-29(45)55-15-2/h21-28,31,33-37,39,48-49,51-52H,14-20H2,1-13H3/t21-,22-,23+,24+,25-,26+,27+,28-,31+,33+,34-,35-,36+,37-,39+,40-,41-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula C42H72N2O17
Molecular Weight 877.0243
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3DZ3XTN487
Record Status Validated (UNII)
Record Version