Nepasaikosaponin K

Category	Influenza Virus
CAS	405229-61-0
Description	Nepasaikosaponin K is a triterpene compound isolated from the dried roots of the umbelliferaceae plant Bupleurum chinense DC or Bupleurum scorzoner-ifolium Willd. It has anti-tumor (EAC), anti-hepatotoxic (rats, hepatocellular toxin caused by CCl4), anti-viral (influenza virus A2 in vitro, 50 μg/mL, inhibition rate 69%), anti-hyperlipidemia and anti-endotoxin effects. It has immunomodulatory function, as well as the effect of anti-platelet active factor, anti-allergy effect and anti-cell adhesion.

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Synonyms	NEPASAIKOSAPONIN K;405229-61-0;CHEMBL4097803;HY-N7915;CS-0138796;E80560;
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Weight	945.14
Molecular Formula	C48H80O18
Canonical SMILES	C[C@]([C@@]1([H])[C@]2(CC[C@@H]3O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]([C@H]4O[C@H](O[C@H]5C)[C@@H]([C@@H]([C@H]5O)O)O)CO[C@@H]([C@@H]([C@H]6O)O)O[C@@H]([C@H]6O)CO)C)(CC[C@@]2([H])[C@]3(C)CO)[C@@](C([C@@](CC7(C)C)([H])[C@@]8(CC7)CO)=CC1)(C[C@@H]8O)C
InChI	InChI=1S/C48H80O18/c1-22-31(53)33(55)37(59)41(62-22)66-39-26(19-61-40-36(58)34(56)32(54)25(18-49)63-40)64-42(38(60)35(39)57)65-30-11-12-44(4)27(45(30,5)20-50)10-13-46(6)28(44)9-8-23-24-16-43(2,3)14-15-48(24,21-51)29(52)17-47(23,46)7/h8,22,24-42,49-60H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48+/m0/s1
InChIKey	BHFXAIXRWOFWOS-XRWUOUDGSA-N
Boiling Point	1022.8±65.0°C at 760 mmHg
Purity	≥95%
Density	1.4±0.1 g/cm3
Appearance	Powder
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.