(Q105183616)

English

[(3R)-6-hydroxy-8-methyl-7-(3-methylbutanoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₁₈H₂₉NO₅

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Statements

instance of

group of stereoisomers

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1 reference

339.204573028 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₉NO₅

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canonical SMILES

O=C(OC1CC2N(C)C(C1)C(OC(=O)CC(C)C)C2O)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1CC2C(O)C(OC(=O)CC(C)C)C(C1)N2C

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found in taxon

Datura stramonium

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C18H29NO5/c1-6-11(4)18(22)23-12-8-13-16(21)17(14(9-12)19(13)5)24-15(20)7-10(2)3/h6,10,12-14,16-17,21H,7-9H2,1-5H3/b11-6+/t12-,13?,14?,16?,17?/m1/s1

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InChIKey

NQACTVWQBJPZMD-QTGAIZFKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NQACTVWQBJPZMD-QTGAIZFKSA-N

(Q105183616)

[(3R)-6-hydroxy-8-methyl-7-(3-methylbutanoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate

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Identifiers

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