Logo Anses
Logo Interreg

5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol

  • Formula: C28H44O3

  • Molecular weight: 428.60

  • Smiles: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C

Download

5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol

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

Names

  • Mycotoxin name: 5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol

  • First synonym: Ergosterol peroxide

  • Synonyms: Ergosterol peroxide,Ergosterol endoperoxide,Ergosterol-5,8-peroxide,Peroxyergosterol,2061-64-5,UNII-UG9TN81TGH,Ergosterol 5alpha,8alpha-epidioxide,UG9TN81TGH,CHEMBL434750,CHEBI:65858,5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol,NSC31324,(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol,5alpha,8alpha-epidioxy-22E-ergosta-6,22-dien-3beta-ol,(22E,24R)-5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol,(24R)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol,NSC 31324,(3S,5S,8S,9R,10R,13R,14R,17R)-17-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol,(3beta,5alpha,8alpha,22E)-5,8-epidioxyergosta-6,22-dien-3-ol,Ergosterol 5.alpha.,8.alpha.-epidioxide,Ergosterol 5-alpha,8-alpha-epidioxide,BRN 0096852,5-19-03-00043 (Beilstein Handbook Reference),Ergosterol Peroxide_120246,SCHEMBL3281353,5,8-Epidioxy-5-alpha,8-alpha-ergosta-6,22-dien-3-beta-ol,BDBM50334064,NSC-31324,ZINC38139718,5.alpha.,22-dien-3.beta.-ol, 5,8-epidioxy-,5alpha,8alpha-Epidioxyergosta-6,22-diene-3beta-ol,Q5385831,5-alpha,8-alpha-ERGOSTA-6,22-DIEN-3-beta-OL, 5,8-EPIDIOXY-,5alpha,8alpha-Ergosta-6,22-dien-3beta-ol, 5,8-epidioxy- (8CI),Ergosta-6, 5,8-epidioxy-, (3.beta.,5.alpha.,8.alpha.,22E)-,Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3-beta,5-alpha,8-alpha,22E)- (9CI),Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3beta,5alpha,8alpha,22E)- (9CI),(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0^{1,9}.0^{2,6}.0^{10,15}]nonadec-18-en-13-ol

Identifiers / External links

Structure

  • Smiles: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C

  • Isomeric smiles: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C

  • Inchi: InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1

  • Inchikey: VXOZCESVZIRHCJ-KGHQQZOUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H44O3

  • Molecular weight: 428.60

  • Monoisotopic mass: 428.32904526

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