 Home > Encyclopedia > (2′aS)-2′a,3′,4′,5′-Tetrahydro-3′-methylspiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one

(2′aS)-2′a,3′,4′,5′-Tetrahydro-3′-methylspiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one

(2′aS)-2′a,3′,4′,5′-Tetrahydro-3′-methylspiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one structure

CAS No:
1093-07-8
Formula:
C18H17NO3
Chemical Name:
(2′aS)-2′a,3′,4′,5′-Tetrahydro-3′-methylspiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one
Synonyms:
Spiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one,2′a,3′,4′,5′-tetrahydro-3′-methyl-,(2′aS)-;Mecambrine;Spiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one,2′a,3′,4′,5′-tetrahydro-3′-methyl-,(S)-;(2′aS)-2′a,3′,4′,5′-Tetrahydro-3′-methylspiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one;Fugapavine;(-)-Fugapavine;(-)-Mecambrine;13408-22-5;31065-71-1

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Description

Mecambrine is an alkaloid.

(2′aS)-2′a,3′,4′,5′-Tetrahydro-3′-methylspiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one Basic Attributes

Molecular Weight：

295.33248

Exact Mass：

295.33

Characteristics

PSA：

38.77000

XLogP3：

2.21880

Density：

1.38g/cm3

Melting Point：

178.5-179.5 °C

Boiling Point：

457.6ºC at 760mmHg

Flash Point：

230.5ºC

Refractive Index：

1.689

Computed Properties

Molecular Weight:295.3
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Exact Mass:295.12084340
Monoisotopic Mass:295.12084340
Topological Polar Surface Area:38.8
Heavy Atom Count:22
Complexity:553
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2′aS)-2′a,3′,4′,5′-Tetrahydro-3′-methylspiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one

Description
Basic Attributes
Characteristics
Computed Properties

(2′aS)-2′a,3′,4′,5′-Tetrahydro-3′-methylspiro[2,5-cyclohexadiene-1,1′(2′H)-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one

SDS

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