(Q105196894)

English

methyl (1S,9R,10R,13E,14S,15S)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

methyl (13Z)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6-triene-15-carboxylate

1 reference

based on heuristic

inferred from SMILES

N-[3-[(2S,5S,8S)-5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxy-acetamide

1 reference

based on heuristic

inferred from SMILES

methyl (13E)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6-triene-15-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

370.189257312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,9R,10R,13E,14R,15S)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,9R,10S,13Z,14S,15S)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,9S,10R,13E,14R,15S)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆N₂O₄

0 references

canonical SMILES

O=C(OC)C1(CO)C2C(=CC)CNC(C2)C34OCCC41C=5C=CC=CC5N3

0 references

isomeric SMILES

C/C=C1/CN[C@@H]2C[C@@H]1[C@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13

0 references

found in taxon

Kopsia fruticosa

1 reference

stated in

Venalstonine and dioxokopsan derivatives from Kopsia fruticosa

Kopsia singapurensis

2 references

stated in

Biologically active aspidofractinine, rhazinilam, akuammiline, and vincorine alkaloids from Kopsia

stated in

New Indole Alkaloids fromKopsia. Alkaloid Variation inKopsia singapurensis

Identifiers

InChI

InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3-/t15-,17+,19+,20-,21-/m0/s1

0 references

InChIKey

OQJSSGHGITUGKL-KIPNWISHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OQJSSGHGITUGKL-KIPNWISHSA-N

(Q105196894)

methyl (1S,9R,10R,13E,14S,15S)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate

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