Aspercolorin

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Aspercolorin
Category Others
Catalog number BBF-04597
CAS 29123-52-2
Molecular Weight 464.51
Molecular Formula C25H28N4O5
Purity >97% by HPLC

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Description

An atypical cyclic tetrapeptide in which one of the amino acids is a 5-methoxyanthranilic acid. Aspercolorin is a fungal metabolite produced by Aspergillus versicolor. It is used as a secondary metabolite standard in polyphasic taxonomy for the identification of aspergillus versicolor.

Specification

Synonyms 1,2,3,5,6,7,8,9,10,11,12,17,18,18a-Tetradecahydro-10-benzyl-14-methoxypyrrolo[1,2-a][1,4,8,11]benzotetraazacyclotetradecine-5,9,12,18-tetrone; 10-benzyl-14-methoxy-1,2,3,7,8,10,11,18a-octahydrobenzo[e]pyrrolo[1,2-a][1,4,8,11]tetraazacyclotetradecine-5,9,12,18(6H,17H)-tetraone; Cyclo(β-alanylprolyl-2-amino-5-methoxybenzoylphenylalanyl)
Storage Store at -20°C
IUPAC Name 14-benzyl-19-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),18,20-triene-3,9,13,16-tetrone
Canonical SMILES COC1=CC2=C(C=C1)NC(=O)C3CCCN3C(=O)CCNC(=O)C(NC2=O)CC4=CC=CC=C4
InChI InChI=1S/C25H28N4O5/c1-34-17-9-10-19-18(15-17)23(31)28-20(14-16-6-3-2-4-7-16)24(32)26-12-11-22(30)29-13-5-8-21(29)25(33)27-19/h2-4,6-7,9-10,15,20-21H,5,8,11-14H2,1H3,(H,26,32)(H,27,33)(H,28,31)
InChI Key KABHYYPZHZXPIU-UHFFFAOYSA-N
Source Aspergillus versicolor

Properties

Appearance Light Tan Solid
Boiling Point 864.0±65.0°C (Predicted)
Melting Point 158°C
Density 1.33±0.1 g/cm3 (Predicted)
Solubility Soluble in Ethanol, Methanol, DMF, DMSO

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Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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