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82442-48-6

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Basic Information
CAS No.: 82442-48-6
Name: Arteannuin A
Molecular Structure:
Molecular Structure of 82442-48-6 (Arteannuin A)
Formula: C16H26O5
Molecular Weight: 298.3746
Synonyms: Artemisin A;Qing Hau Sau I;
Density: 1.14 g/cm3
Boiling Point: 395.7 °C at 760 mmHg
Flash Point: 172.6 °C
PSA: 26.30000
LogP: 2.54030
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Specification

The Arteannuin A, with the CAS registry number 82442-48-6, is also known as Artemisin A. This chemical's molecular formula is C16H26O5 and molecular weight is 298.3746. What's more, its systematic name is called 3,6,7,10-Tetramethyloctahydro-10,13a-epoxyfuro[2,3-d][1,2]dioxacyclododecin-2(3H,13H)-one.

Physical properties about Arteannuin A are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 53.99 Å2; (7)Index of Refraction: 1.502; (8)Molar Refractivity: 77 cm3; (9)Molar Volume: 260.9 cm3; (10)Surface Tension: 39.3 dyne/cm; (11)Density: 1.14 g/cm3; (12)Flash Point: 172.6 °C; (13)Enthalpy of Vaporization: 64.59 kJ/mol; (14)Boiling Point: 395.7 °C at 760 mmHg; (15)Vapour Pressure: 1.81E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C3OC12OC(OOC1)(CCC(C)C(C)CCC2C3C)C
(2) InChI: InChI=1/C16H26O5/c1-10-5-6-13-12(3)14(17)19-16(13)9-18-21-15(4,20-16)8-7-11(10)2/h10-13H,5-9H2,1-4H3
(3) InChIKey: QBLBNJZBBOOWJR-UHFFFAOYAZ