Results for:
PubChem ID: 563254

Benzyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate

Compound Details

Synonymous names
QETXRIAWHIDYDD-UHFFFAOYSA-N
[2-(Carbobenzyloxy)decahydroisoquinolin-3-yl]acetic acid, t-butyl ester
Benzyl 3-(2-tert-butoxy-2-oxoethyl)octahydro-2(1H)-isoquinolinecarboxylate #
Microorganism:

Yes

IUPAC namebenzyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
SMILESCC(C)(C)OC(=O)CC1CC2CCCCC2CN1C(=O)OCC3=CC=CC=C3
InchiInChI=1S/C23H33NO4/c1-23(2,3)28-21(25)14-20-13-18-11-7-8-12-19(18)15-24(20)22(26)27-16-17-9-5-4-6-10-17/h4-6,9-10,18-20H,7-8,11-16H2,1-3H3
FormulaC23H33NO4
PubChem ID563254
Molweight387.5
LogP4.9
Atoms28
Bonds7
H-bond Acceptor4
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids esters heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno