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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H69NO17
Molecular Weight 884.0152
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEUCOMYCIN A6 ACETATE

SMILES

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

InChI

InChIKey=CLROXSMRUGVWIT-WNWCIUCGSA-N
InChI=1S/C44H69NO17/c1-13-34(50)60-42-27(5)55-36(23-44(42,9)52)61-38-26(4)56-43(41(59-30(8)49)37(38)45(10)11)62-39-31(19-20-46)21-24(2)32(57-28(6)47)18-16-14-15-17-25(3)54-35(51)22-33(40(39)53-12)58-29(7)48/h14-16,18,20,24-27,31-33,36-43,52H,13,17,19,21-23H2,1-12H3/b15-14+,18-16+/t24-,25-,26-,27+,31+,32+,33-,36+,37+,38-,39+,40+,41-,42+,43+,44-/m1/s1

HIDE SMILES / InChI

Molecular Formula C44H69NO17
Molecular Weight 884.0152
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
02TX97A6C0
Record Status Validated (UNII)
Record Version