 Home > Encyclopedia > [(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate

[(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate

[(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate structure

CAS No:
18429-98-6
Formula:
C20H29NO5
Chemical Name:
[(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate
Synonyms:
BENZOIC ACID, 3,4,5-TRIMETHOXY-, DECAHYDRO-2-METHYL-5-ISOQUINOLYL ESTER, cis-;5-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate, (Z)-;cis-3,4,5-Trimethoxybenzoic acid decahydro-2-methyl-5-isoquinolyl ester;cis-5,9,10-H-5-(3,4,5-Trimethoxybenzoyloxy)-2-methyldecahydroisoquinoline;18429-98-6

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[(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate Basic Attributes

Molecular Weight：

363.4 g/mol

Exact Mass：

363.20457303 g/mol

Characteristics

PSA：

57.2 Å²

Computed Properties

Molecular Weight:363.4
XLogP3:3.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:363.20457303
Monoisotopic Mass:363.20457303
Topological Polar Surface Area:57.2
Heavy Atom Count:26
Complexity:459
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate

Basic Attributes
Characteristics
Computed Properties
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