(Q105237171)

English

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

chemical compound

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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(OC1CC2NC1CC(OC(=O)C3C(C(=O)OC4CC5N(C)C(CC5)C4)C(C=6C=CC=CC6)C3C=7C=CC=CC7)C2)CC

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isomeric SMILES

CCC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)[C@@H]3[C@@H](c4ccccc4)[C@H](c4ccccc4)[C@H]3C(=O)O[C@@H]3C[C@@H]4CC[C@H](C3)N4C)C[C@@H]1N2

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found in taxon

Erythroxylum moonii

1 reference

stated in

Dimeric tropane alkaloids from Erythroxylum moonii

Identifiers

InChI

InChI=1S/C36H44N2O6/c1-3-30(39)44-29-17-23-16-26(20-28(29)37-23)42-35(40)33-31(21-10-6-4-7-11-21)32(22-12-8-5-9-13-22)34(33)36(41)43-27-18-24-14-15-25(19-27)38(24)2/h4-13,23-29,31-34,37H,3,14-20H2,1-2H3/t23-,24-,25+,26-,27+,28+,29-,31+,32+,33-,34-/m1/s1

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InChIKey

RIVCLOHZRRTVNF-LTGPJTOPSA-N

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(Q105237171)

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

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Identifiers

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