(Q105221066)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

7-({[2,3-dihydroxy-2-(1-methoxyethyl)-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

mass

411.225702396 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,7aR)-7-({[(2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-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 InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₃NO₇

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canonical SMILES

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

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found in taxon

Heliotropium bovei

1 reference

stated in

Pyrrolizidine alkaloids from Heliotropium bovei

Identifiers

InChI

InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21+/m0/s1

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InChIKey

QHOZSLCIKHUPSU-PNFBIMPKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

matched by identifier from

InChIKey

QHOZSLCIKHUPSU-PNFBIMPKSA-N

(Q105221066)

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

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