Arteannuin B

Category	SARS-CoV
CAS	50906-56-4
Description	Arteannuin B is a natural sesquiterpenoid found in the herbs of Artemisia annua, it exhibits potent antimalarial activity and has potential antitumor activity.

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Synonyms	4,5-Epoxy-11(13)-cadinen-12,6-olide
IUPAC Name	(1R,5S,8R,9S,12R,14R)-8,12-dimethyl-4-methylidene-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one
Molecular Weight	248.3
Molecular Formula	C15H20O3
Canonical SMILES	CC1CCC2C(=C)C(=O)OC23C1CCC4(C3O4)C
InChI	InChI=1S/C15H20O3/c1-8-4-5-11-9(2)12(16)17-15(11)10(8)6-7-14(3)13(15)18-14/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10+,11+,13-,14-,15-/m1/s1
InChIKey	QWQSMEDUZQDVLA-KPHNHPKPSA-N
Boiling Point	398.7±35.0 °C at 760 mmHg
Flash Point	168.5±20.5 °C
Purity	>98%
Density	1.2±0.1 g/cm3
Solubility	In Vitro: DMSO : 100 mg/mL(402.71 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 (10.07 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.5 mg/mL (10.07 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (10.07 mM); Clear solution
Appearance	Powder
Application	antimalarial
Storage	4°C, protect from light * In solvent : -80°C, 6 months -20°C, 1 month (protect from light)
Complexity	457
Exact Mass	248.141251
Index Of Refraction	1.549
PSA	38.83000
Target	SARS-CoV; Ferroptosis
Vapor Pressure	0.0±0.9 mmHg at 25°C
XLogP3-AA	2.6