(Q105189256)

English

methyl (6R,7S,8R)-10-methoxy-6-(4-methoxyphenyl)-8-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-9-oxo-7-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-h][1]benzoxepine-6-carboxylate

chemical compound

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type of chemical entity

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subclass of

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

1 reference

1 reference

672.26829548 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₀N₂O₁₀

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canonical SMILES

CCC(C)C(=O)NC1CCCN1C(=O)C1C(=O)c2c(cc3c(c2OC)OCO3)OC(C(=O)OC)(c2ccc(OC)cc2)C1c1ccccc1

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isomeric SMILES

CC[C@@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@H]1C(=O)c2c(cc3c(c2OC)OCO3)O[C@@](C(=O)OC)(c2ccc(OC)cc2)[C@@H]1c1ccccc1

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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/C37H40N2O10/c1-6-21(2)34(41)38-27-13-10-18-39(27)35(42)29-30(22-11-8-7-9-12-22)37(36(43)46-5,23-14-16-24(44-3)17-15-23)49-25-19-26-32(48-20-47-26)33(45-4)28(25)31(29)40/h7-9,11-12,14-17,19,21,27,29-30H,6,10,13,18,20H2,1-5H3,(H,38,41)/t21-,27+,29-,30-,37+/m1/s1

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InChIKey

OCAUDZRWYYOTLH-XHFILGSTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OCAUDZRWYYOTLH-XHFILGSTSA-N

(Q105189256)

methyl (6R,7S,8R)-10-methoxy-6-(4-methoxyphenyl)-8-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-9-oxo-7-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-h][1]benzoxepine-6-carboxylate

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