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Chemical structure of Roquefortine C

GC18460

Roquefortine C

Also known as (4Z)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Roquefortine C is a mycotoxin that was first isolated from a strain of P

ChemicalCAS58735-64-1MW389.5FormulaC22H23N5O2
CAS number
58735-64-1
Molecular weight
389.5
Formula
C22H23N5O2
Solubility
DMSO ： 10 mg/mL (25·68 mM; Need ultrasonic and warming)
InChIKey
SPWSUFUPTSJWNG-SXGWCWSVSA-N
Catalogue number
GC18460
Brand
GLPBIO
Computed properties PubChem CID 5358951 · XLogP 3 · TPSA 90.1 Ų · H-bond donors 3
XLogP
3
TPSA
90.1 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29

SMILES CC(C)(C=C)C12CC3C(=O)N/C(=C\C4=CN=CN4)/C(=O)N3C1NC5=CC=CC=C25

Computed descriptors from PubChem (CID 5358951), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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