CAS No. 19121-58-5

Solasonine Pricing >

 

Product Information

Chemical Formula: C45H73NO16
Molecular Weight:884.06
Synonyms:Alpha-Solasonine; NSC 82149; Purapurin; Purapurine; Solanine S; Solancarpin; Solasodamine; Solasonin; Tomatine solaradixine
MDL No.:MFCD00017611
EINECS / EC No.:242-826-6
Pubchem CID:119247
IUPAC Name:(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Standard InchI:InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
InchI Key:QCTMYNGDIBTNSK-XEAAVONHSA-N
SMILES:CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
Appearance:-
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):1.42
Refractive Index:1.627

Safety Information

Signal Word: Warning
Hazard Statements:H302
Precautionary Statements:P264-P270-P301+P312+P330-P501
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07