Urs-12-ene-3,28-diol,(3b)- (545-46-0)

The CAS register number of Uvaol is 545-46-0. It also can be called as 12-Ursen-3-beta,28-diol and the IUPAC name about this chemical is (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol. It belongs to the Tri-Terpenoids. This chemical is harmful if swallowed, when you are using it, please avoid contact with skin and eyes.

Physical properties about Uvaol are: (1)ACD/LogP: 9.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.13; (4)ACD/LogD (pH 7.4): 9.13; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2197787.5; (8)ACD/KOC (pH 7.4): 2197787.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46Ų; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 133.4 cm³; (15)Molar Volume: 418.9 cm³; (16)Polarizability: 52.88x10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Enthalpy of Vaporization: 91.75 kJ/mol; (19)Boiling Point: 523.7 °C at 760 mmHg; (20)Vapour Pressure: 3.73E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@]54[C@H](/C3=C/C[C@H]1[C@](CC[C@@H]2[C@]1(C)CC[C@H](O)C2(C)C)(C)[C@]3(C)CC4)[C@@H](C)[C@H](C)CC5
(2)InChI: InChI=1/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
(3)InChIKey: XUARCIYIVXVTAE-ZAPOICBTBM
(4)Std. InChI: InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
(5)Std. InChIKey: XUARCIYIVXVTAE-ZAPOICBTSA-N