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12-hydroxy-6-epi-albrassitriol

  • Formula: C15H26O4

  • Molecular weight: 270.36

  • Smiles: CC1(CCCC2(C1C(C=C(C2(CO)O)CO)O)C)C

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12-hydroxy-6-epi-albrassitriol

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

  • Mycotoxin name: 12-hydroxy-6-epi-albrassitriol

  • First synonym: 12-hydroxy-6-epi-albrassitriol

  • Synonyms: 12-Hydroxy-6-epi-albrassitriol,178330-78-4,(1R,4S,4aS,8aS)-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol,6-epi-12-Hydroxyalbrassitriol,ACon1_001391,ZINC31155888,NCGC00180556-01,NCGC00180556-02,NCGC00180556-02_C15H26O4_(1S,4R,4aS,8aS)-1,2-Bis(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol

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Structure

  • Smiles: CC1(CCCC2(C1C(C=C(C2(CO)O)CO)O)C)C

  • Isomeric smiles: C[C@]12CCCC([C@@H]1[C@@H](C=C([C@@]2(CO)O)CO)O)(C)C

  • Inchi: InChI=1S/C15H26O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7,11-12,16-19H,4-6,8-9H2,1-3H3/t11-,12+,14+,15-/m1/s1

  • Inchikey: HUZKUSWQRONLOJ-PAPYEOQZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H26O4

  • Molecular weight: 270.36

  • Monoisotopic mass: 270.18310931

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