(Q104966553)

English

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

chemical compound

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instance of

type of chemical entity

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1 reference

1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-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

474.272986936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈N₂O₆

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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)C(CC4)C3)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]4CC[C@H](C3)N4C)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/C26H38N2O6/c1-6-15(2)25(30)34-23-13-19-12-21(14-22(23)28(19)5)32-24(29)9-16(3)26(31)33-20-10-17-7-8-18(11-20)27(17)4/h6,9,17-23H,7-8,10-14H2,1-5H3/b15-6-,16-9+/t17-,18+,19-,20+,21-,22+,23-/m1/s1

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InChIKey

CNZQGLUNWSBMAN-SKGIANGKSA-N

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(Q104966553)

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

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