(Q105273118)

English

[(1R,12R,13S,14R,15R)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[(2R)-2-(2-methylpropanoylamino)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl] acetate

chemical compound

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type of chemical entity

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subclass of

[1-Hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[2-(2-methylpropanoylamino)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

672.26829548 dalton

1 reference

1 reference

C₃₇H₄₀N₂O₁₀

0 references

canonical SMILES

COc1ccc(C23Oc4cc5c(c(OC)c4C(O)(C(C(=O)N4CCCC4NC(=O)C(C)C)C2c2ccccc2)C3OC(C)=O)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]3OC(C)=O)OCO5)cc1

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/C37H40N2O10/c1-20(2)33(41)38-27-12-9-17-39(27)34(42)30-28(22-10-7-6-8-11-22)37(23-13-15-24(44-4)16-14-23)35(48-21(3)40)36(30,43)29-25(49-37)18-26-31(32(29)45-5)47-19-46-26/h6-8,10-11,13-16,18,20,27-28,30,35,43H,9,12,17,19H2,1-5H3,(H,38,41)/t27-,28-,30+,35-,36+,37+/m1/s1

0 references

InChIKey

UHVMWNGRKKYVIY-YRZBJPFMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UHVMWNGRKKYVIY-YRZBJPFMSA-N

(Q105273118)

[(1R,12R,13S,14R,15R)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[(2R)-2-(2-methylpropanoylamino)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl] acetate

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