(Q105173401)

English

[(7R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

group of stereoisomers with the chemical formula C₂₀H₃₁NO₆

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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

381.215137712 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₃₁NO₆

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canonical SMILES

O=C(OC1CCN2CC=C(COC(=O)C(O)(C(O)C)C(C)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@](O)(C(C)C)[C@H](C)O)C12

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Identifiers

InChI

InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17?,20-/m0/s1

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InChIKey

MVWPTZQHBOWRTF-YUZHPXNTSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

MVWPTZQHBOWRTF-YUZHPXNTSA-N

1 reference

(Q105173401)

[(7R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

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