Circumdatin A
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| Category | Others |
| Catalog number | BBF-04680 |
| CAS | 223130-52-7 |
| Molecular Weight | 393.39 |
| Molecular Formula | C21H19N3O5 |
| Purity | >95% by HPLC |
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Description
Circumdatin A is a fungal metabolite of benzodiazepine alkaloids isolated from Aspergillus A. ochraceus.
Specification
| Storage | Store at -20°C |
| IUPAC Name | (2S)-10,18-dimethoxy-21-oxa-6,14,23-triazapentacyclo[12.9.0.02,6.08,13.016,22]tricosa-1(23),8(13),9,11,16(22),17,19-heptaene-7,15-dione |
| Canonical SMILES | COC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=C(C=CO4)OC)C5CCCN5C2=O |
| InChI | InChI=1S/C21H19N3O5/c1-27-12-5-6-16-14(10-12)20(25)23-8-3-4-17(23)18-22-19-15(21(26)24(16)18)11-13(28-2)7-9-29-19/h5-7,9-11,17H,3-4,8H2,1-2H3/t17-/m0/s1 |
| InChI Key | YWIHZIZWXOCIAO-KRWDZBQOSA-N |
Properties
| Solubility | Soluble in methanol, DMSO |
Reference Reading
1. Structure revision of circumdatins A and B, benzodiazepine alkaloids produced by marine fungus Aspergillus ostianus, by X-ray crystallography
Ryuhei Ookura, Keijiro Kito, Takashi Ooi, Michio Namikoshi, Takenori Kusumi J Org Chem. 2008 Jun 6;73(11):4245-7. doi: 10.1021/jo800348d. Epub 2008 May 7.
The structures of circumdatins A and B, pentacyclic alkaloids produced by Aspergillus ostianus, were revised from the previously reported betaine structures to unique oxepin ones by X-ray crystallography. The co-occurring known alkaloids, circumdatins D, E, and H, and a new compound reported here, circumdatin J, have a common framework.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
