Logo Anses
Logo Interreg

Paxisterol

  • Formula: C28H42O4

  • Molecular weight: 442.60

  • Smiles: CC(C)C(=C)CCC1(C2CC3C4C2(CCC5C46C(O6)CC7C5(CCC(C7)O)C)C(O3)O1)C

Download

Paxisterol

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

Names

  • Mycotoxin name: Paxisterol

  • First synonym: Paxisterol

  • Synonyms: Paxisterol,110945-69-2,(1S,5R,6S,9S,11R,13S,15S,16S,17S,19S,21S)-6,21-dimethyl-21-(4-methyl-3-methylidenepentyl)-14,18,20-trioxaheptacyclo[15.4.1.02,16.02,19.05,15.06,11.013,15]docosan-9-ol,DTXSID80911908,(3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol,7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol (3beta,5alpha,7beta,15beta,18S)-,Ergost-24(28)-en-3-ol, 7,8:15,18:18,20-triepoxy-, (3beta,5alpha,7beta,15beta,18S)-,3,11a-Dimethyl-3-(4-methyl-3-methylidenepentyl)tetradecahydro-1H,3H,6aH-1,5-epoxyoxireno[2',3']naphtho[2',1':4,5]indeno[1,7a-c]furan-9-ol

Identifiers / External links

Structure

  • Smiles: CC(C)C(=C)CCC1(C2CC3C4C2(CCC5C46C(O6)CC7C5(CCC(C7)O)C)C(O3)O1)C

  • Isomeric smiles: CC(C)C(=C)CC[C@]1([C@H]2C[C@H]3[C@@H]4C2(CC[C@H]5[C@@]46[C@@H](O6)C[C@@H]7[C@@]5(CC[C@@H](C7)O)C)[C@@H](O3)O1)C

  • Inchi: InChI=1S/C28H42O4/c1-15(2)16(3)6-10-26(5)21-14-19-23-27(21,24(30-19)32-26)11-8-20-25(4)9-7-18(29)12-17(25)13-22-28(20,23)31-22/h15,17-24,29H,3,6-14H2,1-2,4-5H3/t17-,18+,19+,20-,21-,22+,23-,24+,25+,26+,27?,28-/m1/s1

  • Inchikey: WUKYEOQJBJKFPH-FWHSHOASSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H42O4

  • Molecular weight: 442.60

  • Monoisotopic mass: 442.30830982

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi