Molecular Weight: 507.62
Molecular Formula: C27H41NO8
Canonical SMILES: CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7OC)O)OC)OCO5)OC(=O)C)OC)C
InChI: InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27-/m1/s1
InChIKey: DTTPWCNKTMQMTE-DZZCPBQSSA-N
Melting Point: 185-187 °C.
Purity: 97 % (TLC).
Solubility: Freely in chloroform, methanol, less in acetone, ethanol
Storage: Store at +4 °C, in dark place
Synonyms: 1α,14α,16β-Trimethoxy-4-methyl-7β,8-(methylenedioxy)-20-ethylaconitane-6β,10-diol 6-acetate; 20-Ethyl-1α,14α,16β-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitane-6β,10-diol 6-acetate; (1alpha,6alpha,14alpha,16beta)-20-Ethyl-1,14,16-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitane-6,10-diol 6-acetate; Delphelatine; Deltamine 6-acetate; Eldeline
DescriptionDeltaline has a lycoctonine carbon-atom skeleton with four six-membered rings and three five-membered rings among; three of the six-membered rings adopt chair conformations with the fourth adopting a boat conformation while all of the five-membered rings exhibit envelope conformations. Intermolecular O-H center dot O hydrogen bonding is present in the crystal structure.
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