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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H36N4O10
Molecular Weight 468.4992
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEBRAMYCIN FACTOR 12

SMILES

[H][C@]3(O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O[C@@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)O[C@H](CN)[C@@H](O)C[C@H]3N

InChI

InChIKey=RTOAPJRCIZBHKA-HFSBJZBZSA-N
InChI=1S/C18H36N4O10/c19-3-9-8(24)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)12(26)11(25)10(4-23)30-18/h5-18,23-28H,1-4,19-22H2/t5-,6+,7+,8-,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H36N4O10
Molecular Weight 468.4992
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
G7OC150RAU
Record Status Validated (UNII)
Record Version