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Antibiotic mb 530a

  • Formula: C19H28O4

  • Molecular weight: 320.40

  • Smiles: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)O

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Antibiotic mb 530a

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Antibiotic mb 530a

  • First synonym: Monacolin j

  • Synonyms: Monacolin J,Lovastatin Diol Lactone,UNII-P5IQ0SI56N,P5IQ0SI56N,79952-42-4,Antibiotic MB 530A,monakolin j,monacolin J lactone,SCHEMBL1820283,CHEBI:79034,ZINC14594736,AKOS022183350,ES-2535,HY-104051,CS-0027590,Q15720548,(4R)-4alpha-Hydroxy-6beta-[2-[(1S)-2beta,6alpha-dimethyl-8alpha-hydroxy-1,2,6,7,8,8abeta-hexahydronaphthalene-1beta-yl]ethyl]tetrahydro-2H-pyran-2-one,(4R,6R)-4-hydroxy-6-{2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}tetrahydro-2H-pyran-2-one,2H-Pyran-2-one, 6-(2-(1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthalenyl)ethyl)tetrahydro-4-hydroxy-

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Structure

  • Smiles: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)O

  • Isomeric smiles: C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O

  • Inchi: InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1

  • Inchikey: ZDFOBOYQVYMVCW-IRUSZSJRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H28O4

  • Molecular weight: 320.40

  • Monoisotopic mass: 320.19875937

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