(Q105173451)

English

(2R,3R,4S)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2R)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-5-oxo-6-methoxy-7,8-methylenedioxy-1-benzoxepin-2-carboxylic acid methyl ester

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 10-methoxy-6-(4-methoxyphenyl)-8-[2-(2-methylpropanoylamino)pyrrolidine-1-carbonyl]-9-oxo-7-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-h][1]benzoxepine-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

658.252645416 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,4R)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2R)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-5-oxo-6-methoxy-7,8-methylenedioxy-1-benzoxepin-2-carboxylic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4S)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2S)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-5-oxo-6-methoxy-7,8-methylenedioxy-1-benzoxepin-2-carboxylic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3S,4R)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2S)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-5-oxo-6-methoxy-7,8-methylenedioxy-1-benzoxepin-2-carboxylic acid methyl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₃₈N₂O₁₀

0 references

canonical SMILES

COC(=O)C1(c2ccc(OC)cc2)Oc2cc3c(c(OC)c2C(=O)C(C(=O)N2CCCC2NC(=O)C(C)C)C1c1ccccc1)OCO3

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isomeric SMILES

COC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc3c(c(OC)c2C(=O)[C@@H](C(=O)N2CCC[C@@H]2NC(=O)C(C)C)[C@@H]1c1ccccc1)OCO3

0 references

found in taxon

Aglaia edulis

1 reference

stated in

Thapsakins: possible biogenetic intermediates towards insecticidal cyclopenta[b]benzofurans from Aglaia edulis

Identifiers

InChI

InChI=1S/C36H38N2O10/c1-20(2)33(40)37-26-12-9-17-38(26)34(41)28-29(21-10-7-6-8-11-21)36(35(42)45-5,22-13-15-23(43-3)16-14-22)48-24-18-25-31(47-19-46-25)32(44-4)27(24)30(28)39/h6-8,10-11,13-16,18,20,26,28-29H,9,12,17,19H2,1-5H3,(H,37,40)/t26-,28+,29+,36+/m1/s1

0 references

InChIKey

MVYWULHEWFKICS-ARHGBXJESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MVYWULHEWFKICS-ARHGBXJESA-N

1 reference

(Q105173451)

(2R,3R,4S)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2R)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-5-oxo-6-methoxy-7,8-methylenedioxy-1-benzoxepin-2-carboxylic acid methyl ester

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