Ajacine

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0850

CAS

509-17-1

Product Name

Ajacine

Structure

Product Details

Description

Diterpenoid alkaloids from the roots of Delphinium scabriflorum.

Synonyms

Pontaconitine A; N-(Acetylanthraniloyl)lycoctonine; Aconitane-7,8-diol, 4-(((2-(acetylamino)benzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1alpha,6beta,14alpha,16eta)-

IUPAC Name

[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate

Molecular Weight

628.75

Molecular Formula

C34H48N2O9

Canonical SMILES

CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)C

InChI

InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27-,28+,30+,31+,32-,33+,34-/m1/s1

InChIKey

NUXFDCYXMLVOFU-AYBRVATOSA-N

Melting Point

152-154 °C

Purity

98% (TLC)

Appearance

Solid powder

Storage

keep in dry cool place

Form

Powder