(Q104391779)

English

Scopalamine

group of stereoisomers with the chemical formula C₁₇H₂₁NO₄

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Statements

group of stereoisomers

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tropane alkaloids

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tropane alkaloids

303.147058152 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₇H₂₁NO₄

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canonical SMILES

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

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isomeric SMILES

CN1[C@H]2CC(OC(=O)C(CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21

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Identifiers

InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12?,13-,14+,15-,16+

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STECJAGHUSJQJN-QBMZJCKTSA-N

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1 reference

26 December 2021

UniChem compound ID

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