(Q105113868)

English

19,20-dehydroedulirin A

group of stereoisomers with the chemical formula C₃₆H₃₈N₂O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

642.257730796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₈N₂O₉

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canonical SMILES

COc1ccc(C23Oc4cc5c(c(OC)c4C(O)(C(C(=O)N4CCCC4NC(=O)C=C(C)C)C2c2ccccc2)C3O)OCO5)cc1

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isomeric SMILES

COc1ccc([C@]23Oc4cc5c(c(OC)c4[C@](O)([C@H](C(=O)N4CCCC4NC(=O)C=C(C)C)[C@H]2c2ccccc2)[C@@H]3O)OCO5)cc1

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found in taxon

Aglaia edulis

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stated in

Cytotoxic flavaglines and bisamides from Aglaia edulis.

Identifiers

InChI

InChI=1S/C36H38N2O9/c1-20(2)17-27(39)37-26-11-8-16-38(26)33(40)30-28(21-9-6-5-7-10-21)36(22-12-14-23(43-3)15-13-22)34(41)35(30,42)29-24(47-36)18-25-31(32(29)44-4)46-19-45-25/h5-7,9-10,12-15,17-18,26,28,30,34,41-42H,8,11,16,19H2,1-4H3,(H,37,39)/t26?,28-,30+,34+,35+,36+/m1/s1

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InChIKey

IJAPXRMOHJNENE-FLKKBAACSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IJAPXRMOHJNENE-FLKKBAACSA-N

1 reference

(Q105113868)

19,20-dehydroedulirin A

Statements

Identifiers

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