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Antiviral API
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11-Oxomogroside II A2
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| Category | Herpes simplex Virus (HSV) |
| CAS | 2170761-37-0 |
| Description | 11-Oxomogroside IIa (11-oxomogroside II A1) is a cucurbitane glycoside extracted from the fruits of Siraitia grosVenorii. 11-Oxomogroside IIa has inhibitory effects against the Epstein-Barr virus early antigen (EBV-EA) activation induced by 12-O-tetradecanoylphorbol-13-acetate (TPA), shows weak inhibitory effects on activation of (+/-)-(E)-methyl-2-[(E)-hydroxyimino]-5-nitro-6-methoxy-3-hexemide (NOR 1), a nitric oxide (NO) donor. |
Product Information
| Synonyms | 19-Norlanost-5-en-11-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-9-methyl-, (3β,9β,10α,24R)-; (1S,4R,8β,9β,24R)-24,25-Dihydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-1-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside; Estr-5-en-11-one, 17-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4,4,9,14-tetramethyl-, (3β,8α,9β,10α,17β)- |
| IUPAC Name | (3S,8R,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one |
| Molecular Weight | 799.01 |
| Molecular Formula | C42H70O14 |
| Canonical SMILES | CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C |
| InChI | InChI=1S/C42H70O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-27,29-37,43-44,46-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1 |
| InChIKey | HDNXQUYFKKXCTG-BQDAFXFRSA-N |
| Boiling Point | 914.7±65.0°C (Predicted) |
| Purity | ≥90% |
| Density | 1.33±0.1 g/cm3 (Predicted) |
| Solubility | In Vitro: DMSO: 50 mg/mL(62.58 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 1.25 mg/mL (1.56 mM); Clear solution 2.Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 1.25 mg/mL (1.56 mM); Clear solution 3.Add each solvent one by one: 10% DMSO >> 90% corn oil Solubility: ≥ 1.25 mg/mL (1.56 mM); Clear solution |
| Appearance | Powder |
| Storage | Store at 2-8°C |
| Complexity | 1450 |
| Exact Mass | 798.47655690 |
| Target | HSV |
| XLogP3-AA | 1.9 |
