Results for:
PubChem ID: 3083622

[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate

Compound Details

Synonymous names
Aposcopolamine
Apohyoscine
535-26-2
RQ98RV32RG
UNII-RQ98RV32RG
1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)
(1R,2R,4S,5S,7S)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-yl 2-phenylacrylate
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-Phenylprop-2-enoate (Apohyoscine)
Hyoscine Hydrobromide Imp. C (EP); Hyoscine Imp. C (EP); (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-Phenylprop-2-enoate; Apohyoscine; H
SCHEMBL12857076
APOHYOSCINE [USP IMPURITY]
DTXSID901045591
BENZENEACETIC ACID, .ALPHA.-METHYLENE-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER
BENZENEACETIC ACID, .ALPHA.-METHYLENE-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-
HY-N8728
MFCD00238538
AKOS040761367
MS-24064
CS-0148978
NS00094393
C90496
Microorganism:

No

IUPAC name[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
SMILESCN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4
InchiInChI=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+
FormulaC17H19NO3
PubChem ID3083622
Molweight285.34
LogP2.6
Atoms21
Bonds4
H-bond Acceptor4
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids epoxides esters heterocyclic compounds nitrogen compounds
CHEBI-ID2785
Supernatural-IDSN0167178-03

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno