Indaconitine (>90%)

CAS: 4491-19-4

Ref. TR-I499760

Product Information

• Name: Indaconitine (>90%)
• Synonyms: 15-Deoxyaconitine, Acetylbenzoylpseudaconine, Acetylbenzoylpseudoaconine, (1α,3α,6α,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-aconitane-3,8,13,14-tetrol 8-Acetate 14-Benzoate, (3Alpha,6Alpha,14Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-3,13-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate, 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14-tetrol deriv., Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,3α,6α,14α,16β)-, Indaconitine
• CAS: 4491-19-4

Description

Applications Indaconitine is used in preparation of aconine and pseudaconine, their NMR spectra, and effect of solvents on conformation as reactant/reagent.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Deng, H.Y., et al.: Nat. Prod. Commun. 9, 785-786 (2014)

• Brand: TRC

Chemical properties

• Molecular weight: 629.74
• Formula: C₃₄H₄₇NO₁₀
• Purity: >90%
• Color/Form: Neat
• InChI: InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25?,26+,27-,28?,29-,31+,32+,33-,34?/m1/s1
• InChI key: InChIKey=PHDZNMWTZQPAEW-RPTZFEPASA-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[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1