ECHINULIN

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0445
CAS
1859-87-6
Product Name
ECHINULIN
Structure

Product Details

Description
Echinulin is isolated from Aspergillus chevalieri.
Synonyms
(3S,6S)-3-[[2-(1,1-Dimethyl-2-propenyl)-5,7-bis(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-6-methyl-2,5-piperazinedione; Echinuline
IUPAC Name
(3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
Molecular Weight
461.64
Molecular Formula
C29H39N3O2
Canonical SMILES
CC1C(=O)NC(C(=O)N1)CC2=C(NC3=C(C=C(C=C23)CC=C(C)C)CC=C(C)C)C(C)(C)C=C
InChI
InChI=1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1
InChIKey
DIKMWTRJIZQJMY-CYFREDJKSA-N
Boiling Point
695.3°C at 760 mmHg
Melting Point
242-243°C
Purity
96%
Density
1.068 g/cm3
Appearance
Powder
Storage
Store at -20°C
Alpha
D20 -26.0° (chloroform)
Color
Brown
Form
Powder
Packaging
1 mg
Uses
Echinulin is a metabolite of diketopiperazine.
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