(Q104394302)

English

[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxo-tetrahydrofuran-3-carboxylate

group of stereoisomers with the chemical formula C₂₀H₂₇NO₇

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instance of

group of stereoisomers

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subclass of

pyrrolizidine alkaloid

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inferred from

pyrrolizidine alkaloid

mass

393.178752204 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₂₇NO₇

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canonical SMILES

O=C(OC1CCN2CC=C(COC(=O)C3(O)C(OC(=O)C3C)C)C21)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@]3(O)[C@H](C)C(=O)O[C@@H]3C)C12

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Identifiers

InChI

InChI=1S/C20H27NO7/c1-5-11(2)17(22)28-15-7-9-21-8-6-14(16(15)21)10-26-19(24)20(25)12(3)18(23)27-13(20)4/h5-6,12-13,15-16,25H,7-10H2,1-4H3/b11-5-/t12-,13-,15-,16?,20+/m1/s1

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InChIKey

LZKFLVDOCDILCY-TUGUBJPPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LZKFLVDOCDILCY-TUGUBJPPSA-N

1 reference

(Q104394302)

[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxo-tetrahydrofuran-3-carboxylate

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