(Q105129764)

English

[(1R,2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₁₇H₁₉NO₃

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Statements

group of stereoisomers

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tropane alkaloids

1 reference

tropane alkaloids

285.136493468 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₁₉NO₃

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canonical SMILES

O=C(OC1CC2N(C)C(C1)C3OC32)C(=C)C=4C=CC=CC4

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isomeric SMILES

C=C(C(=O)OC1CC2[C@@H]3O[C@@H]3[C@@H](C1)N2C)c1ccccc1

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Datura stramonium

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Nine new tropane alkaloids from Datura stramonium L. identified by GC/MS

Identifiers

InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14?,15-,16+/m1/s1

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JJNVDCBKBUSUII-IHTQCXBNSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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