(Q105113737)

English

1-(1R,3R,5S,6R)-6-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (1R,2S,3S,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

600.319937128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄N₂O₆

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canonical SMILES

O=C(OC1CC2N(C)C1CC(OC(=O)C3C(C(=O)OC4CC5N(C)C(CC5)C4)C(C=6C=CC=CC6)C3C=7C=CC=CC7)C2)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)[C@H]3[C@@H](C(=O)O[C@@H]4C[C@@H]5CC[C@H](C4)N5C)[C@@H](c4ccccc4)[C@@H]3c3ccccc3)C[C@@H]1N2C

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found in taxon

Erythroxylum moonii

1 reference

stated in

Dimeric tropane alkaloids from Erythroxylum moonii

Identifiers

InChI

InChI=1S/C36H44N2O6/c1-21(39)42-30-19-26-18-28(20-29(30)38(26)3)44-36(41)34-32(23-12-8-5-9-13-23)31(22-10-6-4-7-11-22)33(34)35(40)43-27-16-24-14-15-25(17-27)37(24)2/h4-13,24-34H,14-20H2,1-3H3/t24-,25+,26-,27+,28-,29+,30-,31+,32+,33+,34-/m1/s1

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InChIKey

IISHMYVAZRUMFO-UQLWNHDPSA-N

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(Q105113737)

1-(1R,3R,5S,6R)-6-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (1R,2S,3S,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate

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Identifiers

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