Benzoylaconine

CAS : 466-24-0

Ref. TR-B207760

Informations sur le produit

• Nom: Benzoylaconine
• Synonymes: 14-Benzoylaconine, 14-O-Benzoylaconine, Aconine 14-Benzoate, Benzaconine, Isaconitine, Pikraconitin, 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv., Aconine 14-benzoate, Aconitane-3,8,13,14,15-Pentol, 20-Ethyl-1,6,16-Trimethoxy-4-(Methoxymethyl)-, 14-Benzoate, (1Alpha,3Alpha,6Alpha,14Alpha,15Alpha,16Beta)-, Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-, Picraconitine, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-Ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate

Description

Applications Benzoylaconine is a diterpenoid alkaloid that was discovered as antidote to aconitine-type neurotoxin poisoning.
References Tursunkhodzhaeva, F., et al.: Chem. Nat. Compd., 52, 849 (2016)

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 603.7
• Formule: C₃₂H₄₅NO₁₀
• Couleur/Forme: Neat
• InChI: InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20?,21?,22+,23-,24?,25+,26-,27+,29+,30-,31?,32-/m1/s1
• Code InChI: InChIKey=DHJXZSFKLJCHLH-BTPWUIFNSA-N
• SMILES: CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)C4C1C3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(O)[C@H]1[C@H]2OC(=O)c1ccccc1