(Q104250297)

English

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

chemical compound

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Statements

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 SMILES

stereoisomer of

[(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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(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

1 reference

C₂₀H₃₁NO₇

0 references

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

0 references

found in taxon

Echium vulgare

1 reference

stated in

Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968

Cynoglossum australe

1 reference

stated in

Analysis of Plant Alkaloid Mixtures by Ammonia Chemical Ionization Mass Spectrometry

Cynoglossum creticum

6 references

stated in

Pyrrolizidine alkaloids from Cynoglossum creticum

stated in

Pyrrolizidine Alkaloids From Middle Eastern Plants

stated in

Pyrrolizidine alkaloids from Cynoglossum creticum. Synthesis of the pyrrolizidine alkaloids echinatine, rinderine, and analogues

stated in

Alkaloids of the roots of Cynoglossum pictum

stated in

A study of the alkaloids of Cynoglossum pictum

stated in

Alkaloids of the roots of Cynoglossum pictum

Cynoglossum montanum

1 reference

stated in

Pyrrolizidine alkaloids from Cynoglossum creticum

Cynoglossum officinale

3 references

stated in

Cynoglossum officinale L.

stated in

Pyrrolizidine alkaloids of Cynoglossum officinale and Cynoglossum amabile (family boraginaceae)

stated in

Mystery root ingestion

Heliotropium supinum

1 reference

stated in

The Alkaloids of Heliotropium supinum L., with Observations on Viridifloric Acid

Paracynoglossum furcatum

1 reference

stated in

Alkaloids of the roots of Paracynoglossum imeretinum

Cynoglossum germanicum

1 reference

stated in

Pyrrolizidine alkaloids from Cynoglossum creticum

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-FNBSJSJDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HRSGCYGUWHGOPY-FNBSJSJDSA-N

1 reference

(Q104250297)

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

Statements

Identifiers

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