Chaetoglobosin r
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Formula: C32H38N2O6
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Molecular weight: 546.70
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Smiles: CC1CC=CC2C(C(C(C3C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)(C)O)O
Chaetoglobosin r
Names
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Mycotoxin name: Chaetoglobosin r
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First synonym: Chaetoglobosin r
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Synonyms: chaetoglobosin R,CHEBI:68737,Q27137156,(3S,3aR,4S,5S,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione
Identifiers / External links
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CAS: 777939-30-7
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PubChem CID: 11192029
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ChemSpiderID: 9367106
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Wikidata (wiki): Q27137156
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Chemical Entities of Biological Interest (CHEBI): CHEBI:68737
Structure
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Smiles: CC1CC=CC2C(C(C(C3C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)(C)O)O
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Isomeric smiles: C[C@H]\1C/C=C/[C@H]2[C@@H]([C@@]([C@H]([C@@H]3[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)(C)O)O
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Inchi: InChI=1S/C32H38N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37-38,40H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31-,32+/m0/s1
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Inchikey: GXXPQGPTEVHUTJ-NOQRJRBPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H38N2O6
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Molecular weight: 546.70
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Monoisotopic mass: 546.27298694
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Fungi
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Fungi id Species 335 Chaetomium globosum CANUN60