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Cochliohydroquinone a

  • Formula: C30H46O8

  • Molecular weight: 534.70

  • Smiles: CCC(C)C(C(C)C1=CC(=C2C(C3C4(CCC(OC4CCC3(OC2=C1O)C)C(C)(C)O)C)O)O)OC(=O)C

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Cochliohydroquinone a

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

Names

  • Mycotoxin name: Cochliohydroquinone a

  • First synonym: Unii-g3t98xpt5d

  • Synonyms: UNII-G3T98XPT5D,G3T98XPT5D,Alboleersin,Cochliohydroquinone A,Alboleersin, (+)-,41059-86-3,Cochlioquinone A, 14,17-didehydro-14,17-dideoxo-14,17-dihydroxy-,(2-Methyl-1-(1-(8,11,12-trihydroxy-3-(1-hydroxy-1-methyl-ethyl)-6a,12b-dimethyl-1,2,3,4a,5,6,12,12a-octahydropyrano(3,2-a)xanthen-9-yl)ethyl)butyl) acetate,Pyrano(3,2-a)xanthene-8,11,12-triol, 9-(2-(acetyloxy)-1,3-dimethylpentyl)-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl-, (3R-(3alpha,4abeta,6aalpha,9(1S*,2R*,3S*),12beta,12abeta,12balpha))-

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Structure

  • Smiles: CCC(C)C(C(C)C1=CC(=C2C(C3C4(CCC(OC4CCC3(OC2=C1O)C)C(C)(C)O)C)O)O)OC(=O)C

  • Isomeric smiles: CC[C@H](C)[C@H]([C@@H](C)C1=CC(=C2[C@H]([C@@H]3[C@]4(CC[C@@H](O[C@@H]4CC[C@]3(OC2=C1O)C)C(C)(C)O)C)O)O)OC(=O)C

  • Inchi: InChI=1S/C30H46O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,32-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1

  • Inchikey: UQNKLYUSWJMMQQ-MHUJPXPPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H46O8

  • Molecular weight: 534.70

  • Monoisotopic mass: 534.31926842

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