(Q105167991)

English

[(7R,8R)-7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

335.1732729 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(7R,8R)-7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₅NO₅

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canonical SMILES

O=C(OC1CCN2CC=C(COC(=O)C(=CC)CO)C21)C=C(C)C

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isomeric SMILES

C/C=C(/CO)C(=O)OCC1=CCN2CC[C@@H](OC(=O)C=C(C)C)[C@@H]12

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found in taxon

Senecio cacaliaster

1 reference

stated in

Pyrrolizidine alkaloids from Senecio cacaliaster

Senecio caudatus

1 reference

stated in

Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species

Senecio variabilis

1 reference

stated in

Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species

Identifiers

InChI

InChI=1S/C18H25NO5/c1-4-13(10-20)18(22)23-11-14-5-7-19-8-6-15(17(14)19)24-16(21)9-12(2)3/h4-5,9,15,17,20H,6-8,10-11H2,1-3H3/b13-4-/t15-,17-/m1/s1

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InChIKey

MMQLVYYYZSPCSB-BTXCVJGZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMQLVYYYZSPCSB-BTXCVJGZSA-N

(Q105167991)

[(7R,8R)-7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate

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Identifiers

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