(Q105173394)

English

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

chemical compound

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instance of

type of chemical entity

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1 reference

[7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

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1 reference

[(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

1 reference

based on heuristic

inferred from SMILES

mass

381.215137712 dalton

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1 reference

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

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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)[C@H]12

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found in taxon

Lithospermum erythrorhizon

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stated in

Pyrrolizidine alkaloids from Lithospermum erythrorhizon

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-/m1/s1

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InChIKey

MVWPTZQHBOWRTF-ARRDCFIYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MVWPTZQHBOWRTF-ARRDCFIYSA-N

(Q105173394)

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

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