(Q105022683)

English

dimethyl (1S,9R,16R,18S,21S)-18-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Dimethyl 18-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

2,18-dimethyl (9R,18S,21S)-18-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

412.199821996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈N₂O₅

0 references

canonical SMILES

O=C(OC)N1C=2C=CC=CC2C34CCN5CCCC6(CCC13C(O)(C(=O)OC)C6)C54

0 references

isomeric SMILES

COC(=O)N1c2ccccc2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43

0 references

found in taxon

Kopsia dasyrachis

1 reference

stated in

Alkaloids from Kopsia dasyrachis

Kopsia arborea

2 references

stated in

The Alkaloids of Kopsia longiflora Merrill. I. Isolation of the Alkaloids

stated in

Three New Indole Alkaloids from the Leaves ofKopsia officinalis

Kopsia officinalis

1 reference

stated in

Three New Indole Alkaloids from the Leaves ofKopsia officinalis

Phelipanche aegyptiaca

1 reference

stated in

The Alkaloids of Kopsia longiflora Merrill. I. Isolation of the Alkaloids

Identifiers

InChI

InChI=1S/C23H28N2O5/c1-29-18(26)22(28)14-20-8-5-12-24-13-11-21(17(20)24)15-6-3-4-7-16(15)25(19(27)30-2)23(21,22)10-9-20/h3-4,6-7,17,28H,5,8-14H2,1-2H3/t17-,20+,21+,22+,23-/m0/s1

0 references

InChIKey

GWQXRASFYLYGJN-JHVSNHCVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GWQXRASFYLYGJN-JHVSNHCVSA-N

1 reference

(Q105022683)

dimethyl (1S,9R,16R,18S,21S)-18-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate

Statements

Identifiers

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