(Q105542710)

English

(E)-erucifoline

chemical compound

(5R,7R,9E,12R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

349.15253745599995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(Z)-erucifoline

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5S,7R,9Z,12R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione

1 reference

based on heuristic

inferred from InChI

(12xi,13xi)-12,13-Epoxy-19-hydroxysenecionan-11,16-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₃NO₆

0 references

canonical SMILES

CC=C1CC2(C(O2)(C(=O)OCC3=CCN4C3C(CC4)OC1=O)C)CO

1 reference

2 March 2021

(E)-Erucifoline (English)

PubChem CID

101621378

isomeric SMILES

C/C=C/1\C[C@]2([C@@](O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)CO

1 reference

2 March 2021

(E)-Erucifoline (English)

PubChem CID

101621378

Identifiers

InChI

InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3+/t13-,14-,17+,18-/m1/s1

1 reference

2 March 2021

(E)-Erucifoline (English)

PubChem CID

101621378

InChIKey

NOQVBHHOUTTZGE-BATPFERXSA-N

1 reference

2 March 2021

(E)-Erucifoline (English)

1 reference

2 March 2021

(E)-Erucifoline (English)

1 reference

(Q105542710)

(E)-erucifoline

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Identifiers

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