(12xi,13xi)-12,13-Epoxy-19-hydroxysenecionan-11,16-dione (Q105182710)

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chemical compound

• (E)-erucifoline
• Erucifoline
• Erucifoline A
• Alkaloid S-C
• (5aR,8Z,9aR,10aR,13bR)-8-Ethylidene-2,4,5,5a,8,9,9a,10a,13,13b-decahydro-9a-(hydroxymethyl)-10a-methyloxireno[8,9][1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-7,11-dione

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Language	Label	Description	Also known as
English	(12xi,13xi)-12,13-Epoxy-19-hydroxysenecionan-11,16-dione	chemical compound	(E)-erucifoline Erucifoline Erucifoline A Alkaloid S-C (5aR,8Z,9aR,10aR,13bR)-8-Ethylidene-2,4,5,5a,8,9,9a,10a,13,13b-decahydro-9a-(hydroxymethyl)-10a-methyloxireno[8,9][1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-7,11-dione

Statements

instance of

type of chemical entity

0 references

subclass of

(9E)-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 SMILES

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 SMILES

chemical structure

Erucifoline.svg
309 × 225; 12 KB

0 references

mass

349.152537456 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-erucifoline

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

chemical formula

C₁₈H₂₃NO₆

0 references

canonical SMILES

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

0 references

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

0 references

found in taxon

Jacobaea persoonii

1 reference

stated in

Pyrrolizidine alkaloids from Senecio persoonii

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

0 references

InChIKey

NOQVBHHOUTTZGE-TZGXRXSYSA-N

0 references

CAS Registry Number

40158-95-0

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

101621379

2 references

stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

matched by identifier from

InChIKey

InChIKey

NOQVBHHOUTTZGE-TZGXRXSYSA-N

UniChem compound ID

96956436

1 reference

stated in

UniChem

 

Sitelinks

Wikipedia(1 entry)

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• zhwiki 芝麻菜叶千里光碱

Wikibooks(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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