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Substance Name: Isofumigaclavine A
RN: 58800-19-4
InChIKey: GJSSYQDXZLZOLR-HQNFJNNYSA-N

Note

  • Metabolite of Penicillium roqueforti.

Molecular Formula

  • C18-H22-N2-O2

Molecular Weight

  • 298.3838
 
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Names and Synonyms

Name of Substance

  • Isofumigaclavine A

Synonym

  • 9-Acetoxy-6,8-dimethylergoline

Systematic Name

  • Ergolin-9-ol, 6,8-dimethyl-, acetate (ester), (8beta,9alpha)-

Registry Numbers

CAS Registry Number

  • 58800-19-4

System Generated Number

  • 0058800194

Structure Descriptors

InChI

1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17?,18+/m0/s1

InChIKey

GJSSYQDXZLZOLR-HQNFJNNYSA-N

Smiles

C[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2[C@@H]1OC(=O)C)C