(Q105283331)

English

[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S,3S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylpentanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

pyrrolizidine alkaloid

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mass

299.209658408 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylpentanoate

1 reference

based on heuristic

inferred from InChI

[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylpentanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₉NO₄

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canonical SMILES

O=C(OCC1CCN2CCCC21)C(O)(C(O)C)C(C)CC

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isomeric SMILES

CC[C@H](C)[C@@](O)(C(=O)OC[C@@H]1CCN2CCC[C@@H]12)[C@H](C)O

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found in taxon

Heliotropium curassavicum

1 reference

stated in

The alkaloids of Heliotropium curassavicum

Heliotropium curassavicum var. obovatum

1 reference

stated in

Pyrrolizidine alkaloids of Heliotropium spathulatum

Identifiers

InChI

InChI=1S/C16H29NO4/c1-4-11(2)16(20,12(3)18)15(19)21-10-13-7-9-17-8-5-6-14(13)17/h11-14,18,20H,4-10H2,1-3H3/t11-,12-,13-,14-,16-/m0/s1

0 references

InChIKey

VBLBKKUAYMFOAG-YGJAXBLXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VBLBKKUAYMFOAG-YGJAXBLXSA-N

(Q105283331)

[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S,3S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylpentanoate

Statements

Identifiers

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