CAS No.20086-07-1,Diosbulbin C Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20086-07-1
Name:	Diosbulbin C

Formula:	C₁₉H₂₂O₇
Molecular Weight:	362.3738
Synonyms:	4H-3a,6-Methanofuro[2,3-d][2]benzoxepin-7- carboxylic acid,2-(3-furanyl)decahydro-9- hydroxy-10b-methyl-4-oxo-,(2R,3aS,6S,6aS,- 7R,9R,10aR,10bS)-;
Density:	1.46g/cm³
Melting Point:	247-250 °C
Boiling Point:	606 °C at 760 mmHg
Flash Point:	320.3 °C
PSA:	106.20000
LogP:	1.90310

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Specification

The Diosbulbin C, with CAS registry number 20086-07-1, has the systematic name of (2R,6S,6aS,7R,9R,10aR,10bS)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxodecahydro-3a,6-methanofuro[2,3-d][2]benzoxepine-7(4H)-carboxylic acid. And the chemical formula of this chemical is C₁₉H₂₂O₇.

Physical properties of Diosbulbin C: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.79; (4)ACD/LogD (pH 7.4): -3.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 84.2 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 87.19 cm³; (15)Molar Volume: 248 cm³; (16)Polarizability: 34.56×10^-24cm³; (17)Surface Tension: 66.1 dyne/cm; (18)Density: 1.46 g/cm³; (19)Flash Point: 320.3 °C; (20)Enthalpy of Vaporization: 94.72 kJ/mol; (21)Boiling Point: 606 °C at 760 mmHg; (22)Vapour Pressure: 1.55E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]3[C@H]2[C@H]5OC(=O)C4(O[C@@H](c1ccoc1)C[C@]4([C@@H]2C[C@@H](O)C3)C)C5
(2)InChI: InChI=1/C19H22O7/c1-18-6-13(9-2-3-24-8-9)26-19(18)7-14(25-17(19)23)15-11(16(21)22)4-10(20)5-12(15)18/h2-3,8,10-15,20H,4-7H2,1H3,(H,21,22)/t10-,11+,12+,13+,14-,15+,18-,19?/m0/s1
(3)InChIKey: UYALWPKCIMKALF-XBHMPIGQBS
(4)Std. InChI: InChI=1S/C19H22O7/c1-18-6-13(9-2-3-24-8-9)26-19(18)7-14(25-17(19)23)15-11(16(21)22)4-10(20)5-12(15)18/h2-3,8,10-15,20H,4-7H2,1H3,(H,21,22)/t10-,11+,12+,13+,14-,15+,18-,19?/m0/s1
(5)Std. InChIKey: UYALWPKCIMKALF-XBHMPIGQSA-N