(Q105183916)

English

dimethyl (1R,9R,16R,18S,21S)-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Dimethyl 4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

456.226036744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂N₂O₆

0 references

canonical SMILES

O=C(OC)N1C2=C(OC)C(OC)=CC=C2C34CCN5CCCC6(CCC13C(C(=O)OC)C6)C54

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isomeric SMILES

COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccc(OC)c(OC)c6N(C(=O)OC)[C@]15CC2)[C@@H]43

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found in taxon

Kopsia griffithii

1 reference

stated in

Alkaloids from Kopsia griffithii

Identifiers

InChI

InChI=1S/C25H32N2O6/c1-30-17-7-6-15-18(19(17)31-2)27(22(29)33-4)25-10-9-23(14-16(25)20(28)32-3)8-5-12-26-13-11-24(15,25)21(23)26/h6-7,16,21H,5,8-14H2,1-4H3/t16-,21+,23-,24-,25-/m1/s1

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InChIKey

NQKHZSNXAUQSHC-XHMWRUPGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NQKHZSNXAUQSHC-XHMWRUPGSA-N

(Q105183916)

dimethyl (1R,9R,16R,18S,21S)-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate

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