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ENACYLOXIN IIA


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Chemical Component Summary

NameENACYLOXIN IIA
Identifiers(1S,3R,4S)-3-[(2E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-aminocarbonyloxy-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxo-tricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-hydroxy-cyclohexane-1-carboxylic acid
FormulaC33 H45 Cl2 N O11
Molecular Weight702.616
TypeNON-POLYMER
Isomeric SMILESCC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N
InChIInChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20-,21+,23+,24-,26-,27-,29+,30-,31-/m1/s1
InChIKeyIWBADCVFZDCUTN-OCXJTLLTSA-N

Chemical Details

Formal Charge0
Atom Count92
Chiral Atom Count9
Bond Count92
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 5288163