(Q104254572)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

7-({[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

7-({[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

397.210052332 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester

1 reference

1 reference

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

1 reference

1 reference

1 reference

C₂₀H₃₁NO₇

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canonical SMILES

O=C(OC1CCN2CC=C(COC(=O)C(O)(C(O)C)C(O)(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@H](C)O)C(C)(C)O)[C@H]12

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found in taxon

Echium humile

1 reference

stated in

Pyrrolizidine and tetrahydroisoquinoline alkaloids from Echium humile

Echium angustifolium

1 reference

stated in

Pyrrolizidine alkaloids from Echium pininana

Echium pininana

1 reference

stated in

Pyrrolizidine alkaloids from Echium pininana

Echium rauwolfii

1 reference

stated in

Pyrrolizidine alkaloids from Echium rauwolfii and Echium horridum (Boraginaceae)

Symphytum asperum

1 reference

stated in

Pyrrolizidine Alkaloids — Symphytum Species

Symphytum officinale

3 references

stated in

Analysis, separation, and bioassay of pyrrolizidine alkaloids from comfrey (Symphytum officinale).

stated in

Isolation of symlandine from the roots of common comfrey (Symphytum officinale) using countercurrent chromatography

stated in

Echimidine Content of Commercial Comfrey (Symphytumspp.-Boraginaceae)

Symphytum uplandicum

1 reference

stated in

Pyrrolizidine Alkaloids — Symphytum Species

Identifiers

InChI

InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20+/m0/s1

0 references

InChIKey

HRSGCYGUWHGOPY-QYJXPBQASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HRSGCYGUWHGOPY-QYJXPBQASA-N

1 reference

(Q104254572)

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

Statements

Identifiers

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