(Q104961896)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[(7R,7aR)-7-[(2-methylbutanoyl)oxy]-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

399.225702396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₃NO₇

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canonical SMILES

O=C(OC1CCN2CC=C(COC(=O)C(O)(C(O)C)C(O)(C)C)C21)C(C)CC

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isomeric SMILES

CC[C@@H](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

Identifiers

InChI

InChI=1S/C20H33NO7/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/h7,12-13,15-16,22,25-26H,6,8-11H2,1-5H3/t12-,13+,15-,16-,20+/m1/s1

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InChIKey

CJYGEJQKEOQHSM-CZZDMBDWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CJYGEJQKEOQHSM-CZZDMBDWSA-N

(Q104961896)

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

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Identifiers

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