Panaxatriol

The Panaxatriol, with CAS registry number 32791-84-7, belongs to the following product categories: (1)Steroids; (2)Ginseng series. It has the systematic name of (3beta,6beta,12beta,20R)-20,25-epoxydammarane-3,6,12-triol. And the chemical formula of this chemical is C₃₀H₅₂O₄. This chemical is an organic coumpound characterizing a group of ginsenosides. And it is formed by the dehydration of protopanaxatriol.

Physical properties of Panaxatriol: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.94; (4)ACD/LogD (pH 7.4): 5.94; (5)ACD/BCF (pH 5.5): 19229.52; (6)ACD/BCF (pH 7.4): 19229.52; (7)ACD/KOC (pH 5.5): 40555.64; (8)ACD/KOC (pH 7.4): 40555.64; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 137.11 cm³; (15)Molar Volume: 446.2 cm³; (16)Polarizability: 54.35×10^-24cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.068 g/cm³; (19)Flash Point: 293.4 °C; (20)Enthalpy of Vaporization: 97.01 kJ/mol; (21)Boiling Point: 561.5 °C at 760 mmHg; (22)Vapour Pressure: 6.04E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]4C[C@]3(C)[C@H](C[C@@H](O)[C@H]2[C@@]3(C)CC[C@@H]2[C@@]1(OC(C)(C)CCC1)C)[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]45
(2)InChI: InChI=1/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1
(3)InChIKey: QFJUYMMIBFBOJY-UXZRXANABD
(4)Std. InChI: InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1
(5)Std. InChIKey: QFJUYMMIBFBOJY-UXZRXANASA-N