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Name
(2R,3aα,5aα,6aβ,10bβ,10cα)-9α-(3-Furyl)dodecahydro-2β-hydroxy-10aα-methyl-4H,7H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,7-dione
- EINECS
- CAS No. 67567-15-1
- Density 1.328g/cm3
- Solubility
- Melting Point
- Formula C19H22O6
- Boiling Point 597.4 °C at 760 mmHg
- Molecular Weight 346.3744
- Flash Point 315.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4H,7H-Furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,- 7-dione,9-(3-furanyl)dodecahydro-2- hydroxy-10a-methyl-,[2R-(2R,3aa,5aa,6aR,- 9a,10aa,10bR,10ca)]-;Diosbulbin G;
- PSA 85.97000
- LogP 2.22250
Diosbulbin-G Specification
The Diosbulbin-G, with CAS registry number 67567-15-1, has the systematic name of 9-(furan-3-yl)-2-hydroxy-10a-methyldodecahydro-4H,7H-[2]benzofuro[7,1-fg]isochromene-4,7-dione. Besides this, it is also called (2R,3aα,5aα,6aβ,10bβ,10cα)-9α-(3-Furyl)dodecahydro-2β-hydroxy-10aα-methyl-4H,7H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,7-dione. And the chemical formula of this chemical is C19H22O6.
Physical properties of Diosbulbin-G: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 74.97 Å2; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 85.13 cm3; (9)Molar Volume: 260.6 cm3; (10)Polarizability: 33.75×10-24cm3; (11)Surface Tension: 49.6 dyne/cm; (12)Density: 1.328 g/cm3; (13)Flash Point: 315.1 °C; (14)Enthalpy of Vaporization: 93.58 kJ/mol; (15)Boiling Point: 597.4 °C at 760 mmHg; (16)Vapour Pressure: 4.04E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4OC2C5C(C1(CC(OC(=O)C1C2)c3ccoc3)C)CC(O)CC45
(2)InChI: InChI=1/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14-16-11(17(21)24-14)4-10(20)5-12(16)19/h2-3,8,10-16,20H,4-7H2,1H3
(3)InChIKey: GFUMUSWDMNZQDZ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14-16-11(17(21)24-14)4-10(20)5-12(16)19/h2-3,8,10-16,20H,4-7H2,1H3
(5)Std. InChIKey: GFUMUSWDMNZQDZ-UHFFFAOYSA-N
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