(Q105024840)

English

(2R,3R,4S,5R,10S)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2S)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-6-methoxy-2,5-methano-7,8-methylenedioxy-1-benzoxepin-5,10-diol

chemical compound

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instance of

type of chemical entity

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subclass of

N-[(2R)-1-[(1R,13R,14S,15R)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanimidic acid

1 reference

based on heuristic

inferred from SMILES

N-[1-[1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide

1 reference

based on heuristic

inferred from SMILES

N-[(2S)-1-[(1R,13R,14S,15R)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanimidic acid

1 reference

based on heuristic

inferred from SMILES

mass

630.257730796 dalton

1 reference

1 reference

C₃₅H₃₈N₂O₉

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canonical SMILES

COc1ccc(C23Oc4cc5c(c(OC)c4C(O)(C(C(=O)N4CCCC4NC(=O)C(C)C)C2c2ccccc2)C3O)OCO5)cc1

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isomeric SMILES

COc1ccc([C@]23Oc4cc5c(c(OC)c4[C@](O)([C@@H](C(=O)N4CCC[C@H]4NC(=O)C(C)C)[C@@H]2c2ccccc2)[C@@H]3O)OCO5)cc1

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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/C35H38N2O9/c1-19(2)31(38)36-25-11-8-16-37(25)32(39)28-26(20-9-6-5-7-10-20)35(21-12-14-22(42-3)15-13-21)33(40)34(28,41)27-23(46-35)17-24-29(30(27)43-4)45-18-44-24/h5-7,9-10,12-15,17,19,25-26,28,33,40-41H,8,11,16,18H2,1-4H3,(H,36,38)/t25-,26-,28+,33-,34-,35-/m0/s1

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InChIKey

HAFLZKVDLUXIRO-VOIPCOBNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HAFLZKVDLUXIRO-VOIPCOBNSA-N

1 reference

(Q105024840)

(2R,3R,4S,5R,10S)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2S)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-6-methoxy-2,5-methano-7,8-methylenedioxy-1-benzoxepin-5,10-diol

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