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Antiviral API
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Hederasaponin B
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| Category | Enterovirus (EV) |
| CAS | 36284-77-2 |
| Description | Hederasaponin B inhibites the viral VP2 protein expression, suggesting the inhibition of viral capsid protein synthesis. |
Product Information
| Synonyms | Hederasaponin B; 3β-(2-O-α-L-Rhamnopyranosyl-α-L-arabinopyranosyloxy)oleana-12-ene-28-oic acid 6-O-(4-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyl ester; 3β-[(2-O-α-L-Rhamnopyranosyl-α-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid 6-O-(4-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyl ester; 3β-[2-O-(α-L-Rhamnopyranosyl)-α-L-arabinopyranosyloxy]oleana-12-ene-28-oic acid 6-O-[4-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl ester; Saponin PJ3; HEDERASAPONIN B (RG); (3beta)-3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-Olean-12-en-28-oic acid O-6-deoxy-beta-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester; Eleutheroside M |
| IUPAC Name | [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Molecular Weight | 1205.4 |
| Molecular Formula | C59H96O25 |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)C)O)O)O)CO)O)O)O |
| InChI | InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1 |
| InChIKey | NVSLBOBPSCMMSO-BVLVEXITSA-N |
| Purity | >98% |
| Density | 1.5±0.1 g/cm3 |
| Solubility | In Vitro: DMSO : 100 mg/mL(82.96 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (2.07 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CD in saline) Solubility: ≥ 2.5 mg/mL (2.07 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (2.07 mM); Clear solution |
| Appearance | White powder |
| Application | Antiviral |
| Storage | Store at -20°C |
| Complexity | 2350 |
| Exact Mass | 1204.62406854 |
| Index Of Refraction | 1.630 |
| PSA | 392.59000 |
| Target | Enterovirus |
| XLogP3-AA | -0.7 |
