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Details

Stereochemistry MIXED
Molecular Formula C58H84N2O18
Molecular Weight 1097.2902
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRICHOMYCIN B

SMILES

C[C@@H](CC[C@H](O)CC(=O)C1=CC=C(N)C=C1)[C@H]2OC(=O)CC(=O)CCCC(O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@H]([C@H](CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H]2C)O3)C(O)=O

InChI

InChIKey=LWTOHQGGAJCWFV-DWWLNLDRSA-N
InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-44(65)28-43(64)27-40(61)18-16-19-41(62)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40,42-46,48-49,51-55,57,61,63-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35-,36-,37+,40?,42-,43+,44-,45-,46?,48-,49-,51+,52-,53+,54-,55-,57-,58+/m0/s1

HIDE SMILES / InChI

Molecular Formula C58H84N2O18
Molecular Weight 1097.2902
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 16 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9N4285K201
Record Status Validated (UNII)
Record Version