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Aphidicolin

  • Formula: C20H34O4

  • Molecular weight: 338.50

  • Smiles: CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O

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Aphidicolin

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

Names

  • Mycotoxin name: Aphidicolin

  • First synonym: Aphidicolin

  • Synonyms: aphidicolin,38966-21-1,(+)-Aphidicolin,ICI 69653,(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol,UNII-192TJ6PP19,NSC234714,CHEMBL29711,MLS000069677,CHEBI:2766,192TJ6PP19,NSC-234714,9,15-Cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol, 3,17-dihydroxy-4-methyl-, (3alpha,4alpha,5alpha,17alpha)-,SMR000058538,69926-98-3,8,11|A-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol,tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-,MFCD00083214,NSC 234714,CCRIS 1783,(+/-)-Aphidicolin,Aphidicolin, (+/-)-,aphidicholin,aphidocolin,BRN 4689958,bis(hydroxymethyl)-dimethyl-[?]diol,Aphidicolin from Nigrospora sphaerica,ne-3,9-diol,Opera_ID_1321,CBiol_001873,BSPBio_001438,KBioGR_000158,KBioSS_000158,SCHEMBL183956,cid_457964,MEGxm0_000277,Aphidicolin, analytical standard,DTXSID5036711,ACon0_000080,ACon1_000511,BCBcMAP01_000163,KBio2_000158,KBio2_002726,KBio2_005294,KBio3_000315,KBio3_000316,Bio1_000159,Bio1_000648,Bio1_001137,Bio2_000158,Bio2_000638,HMS1361H20,HMS1791H20,HMS1989H20,HMS3402H20,HY-N6733,ZINC3789195,BDBM50090910,AKOS027470273,Aphidicolin - CAS 38966-21-1,AT25347,CCG-208640,MCULE-1655552736,IDI1_033908,SMP1_000025,NCGC00023142-03,NCGC00023142-04,NCGC00023142-05,NCGC00023142-06,8,11a-Methano-11ah-cyclohepta(a)naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-rel-,8,11a-Methano-11aH-cyclohepta(a)naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R-(3-alpha,4-alpha,4a-alpha,6a-beta,8-beta,9-beta,11a-beta,11b-beta))-,BA162709,3alpha,16,17,18-tetrahydroxyaphidicolone,CS-0033151,966A211,Q27453425,UNII-6B3F8QW8TU component NOFOAYPPHIUXJR-APNQCZIXSA-N,4B15B386-8738-48FE-80DB-5BA3406098DD,Aphidicolin from Nigrospora sphaerica, >=98% (HPLC), powder,(1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0[1,10].0[2,7]]hexadecane-5,13-diol,(3alpha,4alpha,5alpha,17alpha)-3,17-dihydroxy-4-methyl-9,15-cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol,(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale,(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-Tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-8,11a-methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol,2ZE,6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol,6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol (Aphidicolin),6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol(Aphidicolin),8,11a-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3S,4R,4aR,6aS,8R,9R,11aS,11bS)-,Rel-(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol

Identifiers / External links

Structure

  • Smiles: CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O

  • Isomeric smiles: C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O

  • Inchi: InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1

  • Inchikey: NOFOAYPPHIUXJR-APNQCZIXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H34O4

  • Molecular weight: 338.50

  • Monoisotopic mass: 338.24570956

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