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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H45NO9
Molecular Weight 503.6261
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEDERIN

SMILES

[H][C@]1(C[C@@H](O)C(C)(C)[C@@H](C[C@@H](COC)OC)O1)[C@@H](NC(=O)[C@@H](O)[C@]2(CC(=C)[C@@H](C)[C@@H](C)O2)OC)OC

InChI

InChIKey=ZNEZZONMADKYTB-VRCUBXEUSA-N
InChI=1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17+,18+,19-,20-,21-,23+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H45NO9
Molecular Weight 503.6261
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
B8F7J348GJ
Record Status Validated (UNII)
Record Version