Stigmastane-3,6-diol

The Stigmastane-3,6-diol is an organic compound with the formula C₂₉H₅₂O₂. The systematic name of this chemical is (3β,5α)-Stigmastane-3,25-diol. With the CAS registry number 112244-29-8, it is also named as Stigmastane-3,25-diol, (3β,5α)-. Besides, its molecular weight is 432.72.

Physical properties about Stigmastane-3,6-diol are: (1)ACD/LogP: 8.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.91; (4)ACD/LogD (pH 7.4): 8.91; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1674100.75; (8)ACD/KOC (pH 7.4): 1674100.75; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 131.11 cm³; (15)Molar Volume: 436.7 cm³; (16)Polarizability: 51.97×10^-24 cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 211.5 °C; (20)Enthalpy of Vaporization: 91.79 kJ/mol; (21)Boiling Point: 524 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)(C)O
(2)InChI: InChI=1/C29H52O2/c1-7-20(27(3,4)31)9-8-19(2)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,5)26(23)15-17-29(24,25)6/h19-26,30-31H,7-18H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
(3)InChIKey: QCQIFWPPCUNPFQ-RQWNSYFRBS
(4)Std. InChI: InChI=1S/C29H52O2/c1-7-20(27(3,4)31)9-8-19(2)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,5)26(23)15-17-29(24,25)6/h19-26,30-31H,7-18H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
(5)Std. InChIKey: QCQIFWPPCUNPFQ-RQWNSYFRSA-N