(Q104968189)

English

methyl (13E,14S,16S,18R)-13-ethylidene-18-(hydroxymethyl)-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl (13E)-13-ethylidene-18-(hydroxymethyl)-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

352.178692628 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (13E,14S,16S,18S)-13-ethylidene-18-(hydroxymethyl)-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄N₂O₃

0 references

canonical SMILES

O=C(OC)C1(N2C=3C=CC=CC3C4=C2C5N(CC(=CC)C1C5)CC4)CO

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isomeric SMILES

C/C=C1/CN2CCc3c4n(c5ccccc35)[C@](CO)(C(=O)OC)[C@H]1C[C@@H]42

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found in taxon

Kopsia fruticosa

1 reference

stated in

Venalstonine and dioxokopsan derivatives from Kopsia fruticosa

Identifiers

InChI

InChI=1S/C21H24N2O3/c1-3-13-11-22-9-8-15-14-6-4-5-7-17(14)23-19(15)18(22)10-16(13)21(23,12-24)20(25)26-2/h3-7,16,18,24H,8-12H2,1-2H3/b13-3-/t16-,18-,21-/m0/s1

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InChIKey

CQQSJVSJIQKHST-CEXDTFNFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CQQSJVSJIQKHST-CEXDTFNFSA-N

(Q104968189)

methyl (13E,14S,16S,18R)-13-ethylidene-18-(hydroxymethyl)-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

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