cucurbitacins

The 19-Norlanosta-1,5-diene-3,11,22-trione, 16,24-epoxy-2,25-dihydroxy-9-methyl-, (9beta,10alpha,16alpha,24S)-, with the CAS registry number 60137-06-6, is also known as (10α,24S)-16α,24-Epoxy-2,25-dihydroxy-9β-methyl-19-norlanosta-1,5-diene-3,11,22-trione. This chemical's molecular formula is C₃₀H₄₂O₆ and molecular weight is 498.66. What's more, its systematic name is (4R,9β,16α,24S)-2,25-dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione.

Physical properties of 19-Norlanosta-1,5-diene-3,11,22-trione, 16,24-epoxy-2,25-dihydroxy-9-methyl-, (9beta,10alpha,16alpha,24S)- are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 327.95; (6)ACD/BCF (pH 7.4): 320.24; (7)ACD/KOC (pH 5.5): 2199.8; (8)ACD/KOC (pH 7.4): 2148.1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 135.17 cm³; (15)Molar Volume: 408.4 cm³; (16)Polarizability: 53.58×10^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 208.8 °C; (20)Enthalpy of Vaporization: 109.82 kJ/mol; (21)Boiling Point: 650.7 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C5[C@@]2([C@@H](C/C=C1/C(C(=O)C(\O)=C/[C@H]12)(C)C)[C@]4([C@]([C@@H]3[C@H](O[C@H](C(O)(C)C)CC(=O)[C@H]3C)C4)(C)C5)C)C
(2)Std. InChI: InChI=1S/C30H42O6/c1-15-18(31)12-23(27(4,5)35)36-20-13-28(6)21-10-9-16-17(11-19(32)25(34)26(16,2)3)30(21,8)22(33)14-29(28,7)24(15)20/h9,11,15,17,20-21,23-24,32,35H,10,12-14H2,1-8H3/t15-,17-,20-,21+,23+,24+,28+,29-,30+/m1/s1
(3)Std. InChIKey: MBYLRWSUZLFUTO-PQNVQGKDSA-N