(Q105121956)

English

1-O-[(1S,3S,5R,6S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 4-O-[(1R,3R,5S,6R)-8-methyl-6-[(Z)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enedioate

chemical compound

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instance of

type of chemical entity

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subclass of

1-O-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) 4-O-[8-methyl-6-(2-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] 2-methylbut-2-enedioate

1 reference

based on heuristic

inferred from SMILES

mass

490.267901556 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

1-O-[(1R,3S,5S,6S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 4-O-[(1S,3R,5R,6S)-8-methyl-6-[(Z)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enedioate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈N₂O₇

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canonical SMILES

O=C(OC1CC2N(C)C(C1)C(OC(=O)C(=CC)C)C2)C=C(C(=O)OC3CC4N(C)C3CC(O)C4)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)O[C@H]3C[C@@H]4C[C@H](O)C[C@H]3N4C)C[C@@H]1N2C

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found in taxon

Schizanthus grahamii

1 reference

stated in

Tropane alkaloids from Schizanthus grahamii

Identifiers

InChI

InChI=1S/C26H38N2O7/c1-6-14(2)25(31)34-23-11-17-9-19(13-21(23)28(17)5)33-24(30)7-15(3)26(32)35-22-10-16-8-18(29)12-20(22)27(16)4/h6-7,16-23,29H,8-13H2,1-5H3/b14-6-,15-7+/t16-,17+,18-,19+,20+,21-,22-,23+/m0/s1

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InChIKey

IWXPYZSPSNEUBJ-VPDHJAKKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105121956)

1-O-[(1S,3S,5R,6S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 4-O-[(1R,3R,5S,6R)-8-methyl-6-[(Z)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enedioate

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