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Dehydroandrographolide succinate

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Category Influenza Virus
CAS 786593-06-4
Description Dehydroandrographolide succinate (DAS), extracted from herbal medicine Andrographis paniculata (Burm f) Nees, has antibacterial and antiviral properties.
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Product Information

Synonyms Dehydroandrographolide succinate|786593-06-4|DEHYDROANDROGRAPHOLIDESUCCINATE|UNII-0X50BP49M1|0X50BP49M1|4-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid|CHEMBL3040746|SCHEMBL14958695|14-Deoxy-11,12-didehydroandrographolide bis(hemisuccinate)|HY-N0677|ZINC4273374|MFCD10566633|s9224|AKOS037515374|CCG-269928|AC-34800|BS-45359|Butanedioic acid, 1-(((1R,2R,4aR,5R,8aS)-2-(3-carboxy-1-oxopropoxy)-5-((1E)-2-(2,5-dihydro-2-oxo-3-furanyl)ethenyl)decahydro-1,4a-dimethyl-6-methylene-1-naphthalenyl)methyl) ester|CS-0009708|4-(((1R,2R,4aR,5R,8aS)-2-((3-Carboxypropanoyl)oxy)-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,5-dihydrofuran-3-yl)vinyl)decahydronaphthalen-1-yl)methoxy)-4-oxobutanoic acid
IUPAC Name 4-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid
Molecular Weight 532.58
Molecular Formula C28H36O10
Canonical SMILES CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)COC(=O)CCC(=O)O)OC(=O)CCC(=O)O
InChI InChI=1S/C28H36O10/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30/h5-6,13,19-21H,1,4,7-12,14-16H2,2-3H3,(H,29,30)(H,31,32)/b6-5+/t19-,20+,21-,27+,28+/m1/s1
InChIKey YTHKMAIVPFVDNU-GPTWTFMPSA-N
Purity 99.88%
Solubility In Vitro:
DMSO : 100 mg/mL(187.77 mM;Need ultrasonic)
In Vivo:
1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline
Solubility: ≥ 2.08 mg/mL (3.91 mM); Clear solution
2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline)
Solubility: ≥ 2.08 mg/mL (3.91 mM); Clear solution
3.Add each solvent one by one:10% DMSO >> 90%corn oil
Solubility: ≥ 2.08 mg/mL (3.91 mM); Clear solution
Appearance White to off-white (Solid)
Storage 4°C, protect from light
* In solvent :
-80°C, 6 months
-20°C, 1 month (protect from light)
Complexity 1060
Exact Mass 532.23084734
PSA 159.16000
Target Influenza Virus
XLogP3-AA 2.7

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