(Q104993103)

English

(1R,4Z,7R,17S)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, (3Z,6R,14aR,14bR)-

1 reference

based on heuristic

inferred from SMILES

(1S,4E,7R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

1 reference

based on heuristic

inferred from SMILES

mass

333.157622836 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4E,7R,17S)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4Z,7S,17S)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

1 reference

based on heuristic

inferred from InChI

(15E)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione

1 reference

1 reference

1 reference

C₁₈H₂₃NO₅

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canonical SMILES

O=C1OC2CCN3CC=C(COC(=O)C(O)(C(=C)CC1=CC)C)C32

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isomeric SMILES

C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@@H]23

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found in taxon

Jacobaea aquatica var. erratica

1 reference

stated in

Alkaloide des gespreiztblättrigen kreuzkrautes (Senecio erraticus BERT. ssp. barbaraeifolius KROCK.) II.

Jacobaea pancicii

1 reference

stated in

Components of Senecio pancicii DEGEN var. arnautorum (VELEN.) STOJ., STEF. et KIT. and S. Pancicii DEGEN var. pancicii

Jacobaea subalpina

1 reference

stated in

Alkaloids of the plant Senecio subalpinus KOCH

Senecio vulgaris

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stated in

Isolierung der alkaloide aus dem gemeinen kreuzkraut (Senecio vulgaris L.)

Jacobaea arnautorum

1 reference

stated in

Components of Senecio pancicii DEGEN var. arnautorum (VELEN.) STOJ., STEF. et KIT. and S. Pancicii DEGEN var. pancicii

Identifiers

InChI

InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15+,18-/m1/s1

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InChIKey

FCEVNJIUIMLVML-GTXMFSIISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104993103)

(1R,4Z,7R,17S)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Statements

Identifiers

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