(Q115970970)

English

[(3S,6S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] benzoate

group of stereoisomers with the chemical formula C₁₅H₁₉NO₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

261.136493468 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₉NO₃

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canonical SMILES

O=C(OC1CC2N(C)C1CC(O)C2)C=3C=CC=CC3

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isomeric SMILES

CN1C2C[C@H](O)CC1[C@@H](OC(=O)c1ccccc1)C2

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found in taxon

Erythroxylum rotundifolium

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stated in

Reversal of multidrug resistance by tropane alkaloids from the stems of Erythroxylum rotundifolium.

Identifiers

InChI

InChI=1S/C15H19NO3/c1-16-11-7-12(17)9-13(16)14(8-11)19-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12-,13?,14-/m0/s1

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InChIKey

KQVOSDJOQFJEOB-YIOUJQMASA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KQVOSDJOQFJEOB-YIOUJQMASA-N

1 reference

(Q115970970)

[(3S,6S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] benzoate

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Identifiers

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