(Q105376050)

English

methyl (1S,9R,16S,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

aspidospermine / aspidofractine / kopsane alkaloid

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mass

336.183778008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,9R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,9S,16S,18R,21R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1R,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄N₂O₂

0 references

canonical SMILES

O=C(OC)C1CC23C=CCN4CCC5(C=6C=CC=CC6NC15CC2)C43

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isomeric SMILES

COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43

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found in taxon

Alstonia mairei

1 reference

stated in

Monoterpenoid Indole Alkaloids from Alstonia mairei

Melodinus hemsleyanus

1 reference

stated in

Alkaloids from Melodinus hemsleyanus

Melodinus fusiformis

1 reference

stated in

Alkaloids from Melodinus hemsleyanus

Identifiers

InChI

InChI=1S/C21H24N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-7,15,18,22H,8-13H2,1H3/t15-,18-,19-,20+,21-/m0/s1

0 references

InChIKey

ZHVZVHMDHAWEBG-KJRRRBQDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZHVZVHMDHAWEBG-KJRRRBQDSA-N

(Q105376050)

methyl (1S,9R,16S,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate

Statements

Identifiers

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