(Q105025852)

English

[(1R,9R,10R,11R,12R)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[1-Hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[2-(2-methylbutanoylamino)pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

1 reference

1 reference

[(1R,9R,10R,11R,12R)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-(2-methylbutanoylamino)pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

1 reference

1 reference

1 reference

672.304680988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,9R,10R,11S,12R)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,9S,10R,11R,12S)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2S)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,9R,10R,11S,12S)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,9R,10S,11R,12R)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2S)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1R,9R,10S,11S,12S)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2S)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1S,9S,10R,11S,12R)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2S)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₄N₂O₉

0 references

canonical SMILES

CCC(C)C(=O)NC1CCCN1C(=O)C1C(c2ccccc2)C2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3C1(O)C2OC(C)=O

0 references

isomeric SMILES

CC[C@@H](C)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]2OC(C)=O

0 references

found in taxon

Aglaia elliptica

1 reference

stated in

Diamide derivatives and cycloartanes from the leaves of Aglaia elliptica

Identifiers

InChI

InChI=1S/C38H44N2O9/c1-7-22(2)34(42)39-30-14-11-19-40(30)35(43)33-31(24-12-9-8-10-13-24)38(25-15-17-26(45-4)18-16-25)36(48-23(3)41)37(33,44)32-28(47-6)20-27(46-5)21-29(32)49-38/h8-10,12-13,15-18,20-22,30-31,33,36,44H,7,11,14,19H2,1-6H3,(H,39,42)/t22-,30+,31+,33+,36-,37+,38+/m1/s1

0 references

InChIKey

HCNJABPCRMQADU-WAVGVDQCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HCNJABPCRMQADU-WAVGVDQCSA-N

(Q105025852)

[(1R,9R,10R,11R,12R)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

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