CALYCANTHINE

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0083
CAS
595-05-1
Product Name
CALYCANTHINE
Structure

Product Details

Description
Calycanthine is an alkaloid isolated from seeds of Chimonanthus praecox. Calycanthine exhibits potent antifungal activity against five plant pathogenic fungi including Exserohilum turcicum, Bipolaris maydis, Alternaria solani, Sclerotinia sderotiorum and Fusarium oxysportium.
Synonyms
(1S,2R,10S,11R)-21,24-dimethyl-3,12,21,24-tetraazahexacyclo[9.7.3.3(2,10).0(1,10).0(4,9).0(13,18)]tetracosa-4,6,8,13,15,17-hexaene; (4bS,5R,10bS,11R)-13,18-dimethyl-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h]-2,6-naphthyridine
IUPAC Name
(1S,2R,10S,11R)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
Molecular Weight
346.478
Molecular Formula
C22H26N4
Canonical SMILES
CN1CCC23C4NC5=CC=CC=C5C2(C1NC6=CC=CC=C36)CCN4C
InChI
InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
InChIKey
XSYCDVWYEVUDKQ-GXRSIYKFSA-N
Melting Point
245°C (evac tube)
Purity
>98%
Solubility
Soluble in DMSO
Alpha
D18 +684° (c = 1.2 in abs alc)
Definition
ChEBI: The principal alkaloid of the plant family Calycanthaceae.
EINECS
209-857-7
Form
Powder
MDL
MFCD00010526
Packaging
5 mg
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