Calphostin D
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Formula: C30H30O10
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Molecular weight: 550.60
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Smiles: CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)O)O
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Type: Perilene
Calphostin D
Names
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Mycotoxin name: Calphostin D
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First synonym: None
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Synonyms: Calphostin D,Phleichrome,124986-26-1,4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxyperylene-3,10-dione,4,9-dihydroxy-6,7-bis[(2r)-2-hydroxypropyl]-1,5,8,12-tetramethoxyperylene-3,10-dione,NSC629720,Ucn 1028 D,SCHEMBL13121634,DTXSID00924979,CHEBI:218523,WJBHEYCJMSCKIP-UHFFFAOYSA-N,4,9-Dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxy-3,10-perylenedione,3,10-Perylenedione, 4,9-dihydroxy-1,12-bis(2-hydroxypropyl)-2,6,7,11-tetramethoxy-,4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxy-perylene-3,10-dione
Identifiers / External links
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CAS: 124986-26-1
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PubChem CID: 130305
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ChemSpiderID: 115300
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ChEMBL: CHEMBL13121634
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Chemical Entities of Biological Interest (CHEBI): CHEBI:218523
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CompTox Chemicals Dashboard (DTXSID): DTXSID00924979
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SCHEMBL: SCHEMBL13121634
Structure
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Smiles: CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)O)O
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Isomeric smiles: CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)O)O
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Inchi: InChI=1S/C30H30O10/c1-11(31)7-13-19-20-14(8-12(2)32)30(40-6)28(36)22-16(34)10-18(38-4)24(26(20)22)23-17(37-3)9-15(33)21(25(19)23)27(35)29(13)39-5/h9-12,31-32,35-36H,7-8H2,1-6H3
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Inchikey: WJBHEYCJMSCKIP-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C30H30O10
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Molecular weight: 550.60
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Monoisotopic mass: 550.18389715
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Fungi
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Fungi id Species