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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H19NO9
Molecular Weight 537.4732
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DYNEMICIN A

SMILES

[H][C@]12NC3=C(C=C(O)C4=C3C(=O)C5=C(C(O)=CC=C5O)C4=O)[C@]67O[C@]16[C@H](C)C(C(O)=O)=C(OC)[C@]7([H])C#CC=CC#C2

InChI

InChIKey=AFMYMMXSQGUCBK-BNONGLCOSA-N
InChI=1S/C30H19NO9/c1-12-19(28(37)38)27(39-2)13-7-5-3-4-6-8-18-29(12)30(13,40-29)14-11-17(34)22-23(24(14)31-18)26(36)21-16(33)10-9-15(32)20(21)25(22)35/h3-4,9-13,18,31-34H,1-2H3,(H,37,38)/b4-3-/t12-,13+,18-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H19NO9
Molecular Weight 537.4732
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
D3G8N2863A
Record Status Validated (UNII)
Record Version