Logo Anses
Logo Interreg

Betaenone d

  • Formula: C21H36O6

  • Molecular weight: 384.50

  • Smiles: CCC(C)C1C(C2C(CC(CC2C(=O)C1(C)O)(CO)O)C)(C)C(=O)CCO

Download

Betaenone d

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

Names

  • Mycotoxin name: Betaenone d

  • First synonym: Betaenone d

  • Synonyms: Betaenone D,UNII-58VL774K2X,58VL774K2X,88899-16-5,1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-7-(hydroxymethyl)-4-(3-hydroxy-1-oxopropyl)-2,4,5-trimethyl-3-((1R)-1-methylpropyl)-, (2S,3R,4R,4aS,5R,7R,8aS)-,1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-7-(hydroxymethyl)-4-(3-hydroxy-1-oxopropyl)-2,4,5-trimethyl-3-(1-methylpropyl)-, (2S-(2alpha,3beta(S*),4beta,4abeta,5beta,7alpha,8aalpha))-

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(C2C(CC(CC2C(=O)C1(C)O)(CO)O)C)(C)C(=O)CCO

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

  • Inchi: InChI=1S/C21H36O6/c1-6-12(2)17-19(4,15(24)7-8-22)16-13(3)9-21(27,11-23)10-14(16)18(25)20(17,5)26/h12-14,16-17,22-23,26-27H,6-11H2,1-5H3/t12-,13-,14+,16+,17-,19-,20+,21-/m1/s1

  • Inchikey: GZZDPJWUAOGKFV-CIFXNPCASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H36O6

  • Molecular weight: 384.50

  • Monoisotopic mass: 384.25118886

Select an endpoint:

Select an endpoint:

Select an endpoint:

Select an endpoint:

Fungi