Cimigenoside

For Research Use Only.
Category
Terpenes
Cat.No.
NP6275
CAS
27994-11-2
Product Name
Cimigenoside
Structure

Product Details

Description
Cimigenoside is isolated from the roots of Cimicifuga foetida L.
Synonyms
Cimicifugol xyloside; Cimigenol 3-O-β-D-xylopyranoside
IUPAC Name
(2S,3R,4S,5R)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
Molecular Weight
620.8
Molecular Formula
C35H56O9
Canonical SMILES
CC1CC2C(OC3(C1C4(CCC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)C)O2)C(C)(C)O
InChI
InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1
InChIKey
BTPYUWOBZFGKAI-XYGBCAHESA-N
Boiling Point
740.3±60.0 °C(Predicted)
Melting Point
269-271 °C
Purity
>98%
Density
1.32±0.1 g/cm3(Predicted)
Appearance
Powder
Application
Detoxification
Form
Powder
pKa
13.03±0.70(Predicted)
Refractive Index
1.626
Uses
Cimigenoside exhibits cytotoxicity against five human tumor cell lines.
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