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This chemical is called Glochidone, and its systematic name is lupa-1,20(29)-dien-3-one. With the molecular formula of C30H46O, its molecular weight is 422.69. The CAS registry number of this chemical is 6610-55-5.
Other characteristics of the Glochidone can be summarised as followings: (1)ACD/LogP: 9.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10; (4)ACD/LogD (pH 7.4): 10; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7318576; (8)ACD/KOC (pH 7.4): 7318576; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 129.924 cm3; (15)Molar Volume: 429.345 cm3; (16)Polarizability: 51.506×10-24cm3; (17)Surface Tension: 33.623 dyne/cm; (18)Density: 0.984 g/cm3; (19)Flash Point: 258.078 °C; (20)Enthalpy of Vaporization: 75.615 kJ/mol; (21)Boiling Point: 489.77 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(=C)[C@@H]4CC[C@]5(C)CC[C@]2(C)[C@H](CC[C@@H]1[C@@]3(C)\C=C/C(=O)[C@@](C)(C)[C@@H]3CC[C@]12C)[C@@H]45
2.InChI: InChI=1/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
3.InChIKey: FWBYBHVDDGVPDF-BHMAJAPKBJ