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Solasonine

CAT: 1410-M18170-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M18170-02Size:5 mg
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Description
The equimolar mixture Solamargine/Solasonine was the most active (IC50: 1.1 μM) after 72 h.
CAS Number
19121-58-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
884.07
Molecular Formula
C45H73NO16
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Solasonine

Solasonine is a steroid, an azaspiro compound and an oxaspiro compound.

CAS Number19121-58-5
PubChem CID119247
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
Molecular FormulaC45H73NO16
Molecular Weight884.1
XLogP1.1
Topological Polar Surface Area259
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count62
Formal Charge0
Complexity1630
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1
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
InChIKey
QCTMYNGDIBTNSK-XEAAVONHSA-N
Chemical Structure
2D Structure
2D structure of Solasonine
CAS: 19121-58-5
CID: 119247
Formula: C45H73NO16
MW: 884.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight884.1
XLogP31.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass883.49293524
Monoisotopic Mass883.49293524
Topological Polar Surface Area259 Ų
Heavy Atom Count62
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TS059313Solasonine
469490-01α-Solasonine
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HY-N0070RSolasonine (Standard)
A24555-10Solasonine 10mg
A24555-5Solasonine 5mg
89725Solasonine extrapure, 98%
OS110265-01Solamargine and Solasonine (mixture)

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