(Q104923793)

English

methyl (1S,2R,4R,9S,17R,18S,22S)-5-oxo-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-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

366.157957184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂N₂O₄

0 references

canonical SMILES

O=C(OC)C1CC23CCC41NC=5C=CC=CC5C64CCN(C(=O)C7OC72)C63

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isomeric SMILES

COC(=O)[C@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@]41CCN(C(=O)[C@@H]4O[C@@H]42)[C@H]31

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found in taxon

Melodinus reticulatus

1 reference

stated in

[Plant from New-Caledonia. Alkaloids of Melodinus reticulatus.]

Identifiers

InChI

InChI=1S/C21H22N2O4/c1-26-17(25)12-10-19-6-7-21(12)20(11-4-2-3-5-13(11)22-21)8-9-23(18(19)20)16(24)14-15(19)27-14/h2-5,12,14-15,18,22H,6-10H2,1H3/t12-,14-,15+,18-,19-,20+,21-/m1/s1

0 references

InChIKey

BDBSTVVWBDXWCX-UOADCZNPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BDBSTVVWBDXWCX-UOADCZNPSA-N

(Q104923793)

methyl (1S,2R,4R,9S,17R,18S,22S)-5-oxo-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate

Statements

Identifiers

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