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tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_78734

A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.

Term info

Label

tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate

Synonyms
  • (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate [ IUPAC ]

charge

0

formula

C17H23NO3

has obo namespace

chebi_ontology

has related synonym

dl-Hyoscyamine

id

CHEBI:78734

inchi

InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?

inchikey

RKUNBYITZUJHSG-SPUOUPEWSA-N

mass

289.36940

monoisotopicmass

289.16779

smiles

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1