Panaxadiol

The Panaxadiol, with CAS registry number 19666-76-3, belongs to the following product categories: (1)Steroids; (2)Ginseng series. It has the systematic name of (3beta,12beta,20R)-20,25-epoxydammarane-3,12-diol. And the chemical formula of this chemical is C₃₀H₅₂O₃. The main use of this chemical is the regulating action on the nervous system of the body, endocrine and circulatory system.

Physical properties of Panaxadiol: (1)ACD/LogP: 7.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.64; (4)ACD/LogD (pH 7.4): 7.64; (5)ACD/BCF (pH 5.5): 378354.56; (6)ACD/BCF (pH 7.4): 378354.56; (7)ACD/KOC (pH 5.5): 342162.66; (8)ACD/KOC (pH 7.4): 342162.66; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 135.52 cm³; (15)Molar Volume: 449.2 cm³; (16)Polarizability: 53.72×10^-24cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.025 g/cm³; (19)Flash Point: 275.1 °C; (20)Enthalpy of Vaporization: 92.81 kJ/mol; (21)Boiling Point: 531.3 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]3C[C@@H]1[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]1(C)[C@]4(C)CC[C@H]([C@@]2(OC(C)(C)CCC2)C)[C@@H]34
(2)InChI: InChI=1/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
(3)InChIKey: PVLHOJXLNBFHDX-XHJPDDKBBI
(4)Std. InChI: InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
(5)Std. InChIKey: PVLHOJXLNBFHDX-XHJPDDKBSA-N