 Home > Encyclopedia > (4bS,5R,10bS,11R)-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine

(4bS,5R,10bS,11R)-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine

(4bS,5R,10bS,11R)-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine structure

CAS No:
595-05-1
Formula:
C22H26N4
Chemical Name:
(4bS,5R,10bS,11R)-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine
Synonyms:
5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-,(4bS,5R,10bS,11R)-;Calycanthine;(4bS,5R,10bS,11R)-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine;5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-,[4bS-(4bα,5α,10bα,11α)]-;[4bS-(4bα,5α,10bα,11α)]-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-bis(iminoethano)dibenzo[c,h][2,6]naphthyridine;(+)-Calycanthine;d-Calycanthine;NSC 99016;1414-77-3;16676-25-8;30628-49-0;868739-98-4
Categories:
Natural Products > Alkaloids

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Description

Calycanthine, the principal alkaloid of the order Calycanthaceae, has been isolated from a species of the genus Psychotria, and is a central nervous system toxin, causing convulsions[1][2].

(4bS,5R,10bS,11R)-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine Basic Attributes

Molecular Weight：

346.47

Exact Mass：

346.47

EC Number：

209-857-7

Characteristics

PSA：

30.54000

XLogP3：

3.18840

Density：

1.29g/cm3

Melting Point：

245 °C

Boiling Point：

531.8ºC at 760mmHg

Flash Point：

310.3ºC

Refractive Index：

1.711

Specific rotation：

D18 +684° (c = 1.2 in abs alc)

Computed Properties

Molecular Weight:346.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:346.21574685
Monoisotopic Mass:346.21574685
Topological Polar Surface Area:30.5
Heavy Atom Count:26
Complexity:531
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4bS,5R,10bS,11R)-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine

Description
Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

(4bS,5R,10bS,11R)-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine

SDS

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