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(5S,6S)-16,17-dihydroophiobolin H

  • Formula: C25H40O3

  • Molecular weight: 388.60

  • Smiles: CC(CCC=C(C)C)C1CCC2(C1CC=C3COC4(C3C(C2)C(C4)(C)O)O)C

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(5S,6S)-16,17-dihydroophiobolin H

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

Names

  • Mycotoxin name: (5S,6S)-16,17-dihydroophiobolin H

  • First synonym: None

  • Synonyms: (5s,6s)-16,17-dihydroophiobolin H,(1S,3R,6R,7S,9E,13R,15R,16R)-3,15-dimethyl-6-[(2R)-6-methylhept-5-en-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-ene-13,15-diol,(1S,3R,6R,7S,9E,13R,15R,16R)-3,15-dimethyl-6-((2R)-6-methylhept-5-en-2-yl)-12-oxatetracyclo(8.5.1.03,7.013,16)hexadec-9-ene-13,15-diol,CHEBI:225433

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Structure

  • Smiles: CC(CCC=C(C)C)C1CCC2(C1CC=C3COC4(C3C(C2)C(C4)(C)O)O)C

  • Isomeric smiles: C[C@H](CCC=C(C)C)[C@H]1CC[C@]2([C@H]1C/C=C\3/CO[C@]4([C@@H]3[C@H](C2)[C@](C4)(C)O)O)C

  • Inchi: InChI=1S/C25H40O3/c1-16(2)7-6-8-17(3)19-11-12-23(4)13-21-22-18(9-10-20(19)23)14-28-25(22,27)15-24(21,5)26/h7,9,17,19-22,26-27H,6,8,10-15H2,1-5H3/b18-9-/t17-,19-,20+,21+,22+,23-,24-,25-/m1/s1

  • Inchikey: AJADRAOGQKSOHA-NJJDAYDISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H40O3

  • Molecular weight: 388.60

  • Monoisotopic mass: 388.29774513

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