(Q105289452)

English

methyl (1S,12R,19R,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9,17-tetraene-21-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aspidospermine / aspidofractine / kopsane alkaloid

0 references

mass

396.168521868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,12R,19S,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9,17-tetraene-21-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₄N₂O₅

0 references

canonical SMILES

O=C(OC)C1(O)CC23C=CCN4CCC5(C6=CC=C7OCOC7=C6NC15CC2)C43

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isomeric SMILES

COC(=O)[C@]1(O)C[C@@]23C=CCN4CC[C@@]5(c6ccc7c(c6N[C@]15CC2)OCO7)[C@@H]43

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found in taxon

Kopsia arborea

1 reference

stated in

Biologically active indole alkaloids from Kopsia arborea

Identifiers

InChI

InChI=1S/C22H24N2O5/c1-27-18(25)21(26)11-19-5-2-9-24-10-8-20(17(19)24)13-3-4-14-16(29-12-28-14)15(13)23-22(20,21)7-6-19/h2-5,17,23,26H,6-12H2,1H3/t17-,19+,20+,21+,22-/m0/s1

0 references

InChIKey

VMZZKLLCNZHZTK-NBYDKTAJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMZZKLLCNZHZTK-NBYDKTAJSA-N

1 reference

(Q105289452)

methyl (1S,12R,19R,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9,17-tetraene-21-carboxylate

Statements

Identifiers

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