Daphmacropodine

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0391
CAS
39729-21-0
Product Name
Daphmacropodine
Structure

Product Details

Description
Daphmacropodine is isolated from the branch of Daphniphyllum macropodum Miq.
Synonyms
(1S,2S,5S,7R,8R)-7-Hydroxy-8-{2-[(1S,2R,3S,7R,10S,13S,14R)-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadec-2-yl]ethyl}-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-2-yl acetate
IUPAC Name
[(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
Molecular Weight
513.8
Molecular Formula
C32H51NO4
Canonical SMILES
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC6C7(CCC(C6(C(O7)O)C)OC(=O)C)C)C
InChI
InChI=1S/C32H51NO4/c1-19(2)22-10-14-28(4)21-9-16-31-13-7-8-24(31)32(28,26(22)33(31)18-21)17-11-23-29(5)15-12-25(36-20(3)34)30(23,6)27(35)37-29/h19,21-27,35H,7-18H2,1-6H3/t21-,22-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1
InChIKey
QCDMEBFUPVLRNE-CDRMYCHRSA-N
Boiling Point
573.2±40.0°C (Predicted)
Melting Point
214-215°C
Purity
97.5%
Density
1.16±0.1 g/cm3(Predicted)
Appearance
Powder
Form
Powder
pKa
12.93±0.70(Predicted)
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