(Q104667693)

English

(2S)-N-[(2R)-1-[(1R,9R,10S,11R,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-hydroxy-2-methylbutanamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-[1-[1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-hydroxy-2-methylbutanamide

1 reference

based on heuristic

inferred from SMILES

mass

646.289030924 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-N-[(2S)-1-[(1R,9R,10S,11R,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-hydroxy-2-methylbutanamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-N-[(2R)-1-[(1R,9R,10R,11S,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-hydroxy-2-methylbutanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₄₂N₂O₉

0 references

canonical SMILES

CCC(C)(O)C(=O)NC1CCCN1C(=O)C1C(c2ccccc2)C2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3C1(O)C2O

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isomeric SMILES

CC[C@](C)(O)C(=O)N[C@H]1CCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@H]2O

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found in taxon

Aglaia roxburghiana

1 reference

stated in

Insecticidal natural products: new rocaglamide derivatives fromAglaia roxburghiana

Aglaia elaeagnoidea

1 reference

stated in

Insecticidal natural products: new rocaglamide derivatives fromAglaia roxburghiana

Identifiers

InChI

InChI=1S/C36H42N2O9/c1-6-34(2,42)33(41)37-27-13-10-18-38(27)31(39)30-28(21-11-8-7-9-12-21)36(22-14-16-23(44-3)17-15-22)32(40)35(30,43)29-25(46-5)19-24(45-4)20-26(29)47-36/h7-9,11-12,14-17,19-20,27-28,30,32,40,42-43H,6,10,13,18H2,1-5H3,(H,37,41)/t27-,28-,30+,32-,34+,35+,36+/m1/s1

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InChIKey

AISWAKZPXBFYDF-JZHGAZJOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AISWAKZPXBFYDF-JZHGAZJOSA-N

(Q104667693)

(2S)-N-[(2R)-1-[(1R,9R,10S,11R,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-hydroxy-2-methylbutanamide

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