(Q105174778)

English

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₄₂N₂O₉

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canonical SMILES

CCC(C)C(=O)NC1CCCN1C(=O)C1C(c2ccccc2)C2(c3ccc(OC)c(O)c3)Oc3cc(OC)cc(OC)c3C1(O)C2O

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isomeric SMILES

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

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found in taxon

Aglaia odorata

1 reference

stated in

An insecticidal rocaglamide derivatives and related compounds from Aglaia odorata (Meliaceae)

Identifiers

InChI

InChI=1S/C36H42N2O9/c1-6-20(2)32(40)37-28-13-10-16-38(28)33(41)31-29(21-11-8-7-9-12-21)36(22-14-15-25(45-4)24(39)17-22)34(42)35(31,43)30-26(46-5)18-23(44-3)19-27(30)47-36/h7-9,11-12,14-15,17-20,28-29,31,34,39,42-43H,6,10,13,16H2,1-5H3,(H,37,40)/t20-,28-,29+,31-,34+,35-,36-/m0/s1

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InChIKey

MYBXMIBRAOGBTC-CPJALLNJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MYBXMIBRAOGBTC-CPJALLNJSA-N

(Q105174778)

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

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