Products for Research Use Only
RegisterLogin

Solamargine

CAT: 0013-GTR19160407-08Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19160407-08Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Solamargine is a major steroidal alkaloid glycoside extracted from a traditional Chinese medicine herb, Solanum nigrum L. (SNL) ; has been shown to inhibit growth and induce apoptosis of various cancer cells.
CAS Number
20311-51-7
Product Name Alternative
Solamargin | δ-Solanigrine
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 8.8 mg/mL; 10.14 mM
Smiles
[C@H]1 ([C@H] ([C@@H] ([C@H] ([C@@H] (O1) O[C@@H]1CC2=CC[C@H]3[C@@H]4C[C@@H]5O[C@]6 ([C@H] ([C@@H]5[C@]4 (CC[C@@H]3[C@]2 (CC1) C) C) C) NC[C@@H] (CC6) C) O[C@H]1[C@@H] ([C@@H] ([C@H] ([C@@H] (O1) C) O) O) O) O) O[C@H]1[C@@H] ([C@@H] ([C@H] ([C@@H] (O1) C) O) O) O) CO
Molecular Formula
C45H73NO15
Molecular Weight
868.07
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Solamargine

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

CAS Number20311-51-7
PubChem CID73611
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(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-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC45H73NO15
Molecular Weight868.1
XLogP1.1
Topological Polar Surface Area238
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count61
Formal Charge0
Complexity1610
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[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)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/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,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
MBWUSSKCCUMJHO-ZGXDEBHDSA-N
Chemical Structure
2D Structure
2D structure of Solamargine
CAS: 20311-51-7
CID: 73611
Formula: C45H73NO15
MW: 868.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight868.1
XLogP31.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass867.49802062
Monoisotopic Mass867.49802062
Topological Polar Surface Area238 Ų
Heavy Atom Count61
Formal Charge0
Complexity1610
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

Related Products

CatalogName
GTR19180564Beta-Solamarine
GTR19243439-01Alpha-Solamarine
GTR19183116-01Alpha-Solamarine

Alternative Products

CatalogName
CS-BS-00283Solamargine
OS65545-01A–Solamargine
469487-01α-Solamargine
TRC-S676518-5MGAlpha-Solamargine
HY-N0069RSolamargine (Standard)
A22357-1Solamargine 1mg
A22357-5Solamargine 5mg
A22357-100Solamargine 100mg
A22357-50Solamargine 50mg
A22357-25Solamargine 25mg

Popular Products