Olean-12-en-28-oicacid, 3-(1-oxopropoxy)-, (3b)- (107304-64-3)

The CAS register number of 3-beta-Hydroxy-olean-12-en-28-oic acid propionate is 107304-64-3. It also can be called as Carbamic acid, N,N-dichloro-, ethyl ester and the systematic name about this chemical is ethyl N,N-dichlorocarbamate.

Physical properties about 3-beta-Hydroxy-olean-12-en-28-oic acid propionate are: (1)ACD/LogP:  10.49; (2)# of Rule of 5 Violations:  2; (3)ACD/LogD (pH 5.5):  9.56; (4)ACD/LogD (pH 7.4):  7.76; (5)ACD/BCF (pH 5.5):  1000000; (6)ACD/BCF (pH 7.4):  102820.16; (7)ACD/KOC (pH 5.5):  1435814.38; (8)ACD/KOC (pH 7.4):  22593.82; (9)#H bond acceptors:  4; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  4; (12)Polar Surface Area:  63.6Ų; (13)Index of Refraction:  1.543; (14)Molar Refractivity:  147.78 cm³; (15)Molar Volume:  468.6 cm³; (16)Surface Tension:  43.8 dyne/cm; (17)Density:  1.09 g/cm³; (18)Flash Point:  172.4 °C; (19)Enthalpy of Vaporization:  94.21 kJ/mol; (20)Boiling Point:  575.6 °C at 760 mmHg; (21)Vapour Pressure:  9.51E-15 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: CCC(=O)O[C@@H]1[C@@]([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]5[C@@](CC4)(CC[C@@](C5)(C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C
2.InChI: InChI=1/C33H52O4/c1-9-26(34)37-25-13-14-30(6)23(29(25,4)5)12-15-32(8)24(30)11-10-21-22-20-28(2,3)16-18-33(22,27(35)36)19-17-31(21,32)7/h10,22-25H,9,11-20H2,1-8H3,(H,35,36)/t22-,23-,24+,25-,30-,31+,32+,33-/m0/s1 
3.InChIKey: PEZKOSAVNDGSEH-FBXMHRQLBQ
4.Std. InChI: InChI=1S/C33H52O4/c1-9-26(34)37-25-13-14-30(6)23(29(25,4)5)12-15-32(8)24(30)11-10-21-22-20-28(2,3)16-18-33(22,27(35)36)19-17-31(21,32)7/h10,22-25H,9,11-20H2,1-8H3,(H,35,36)/t22-,23-,24+,25-,30-,31+,32+,33-/m0/s1