Cinobufagin

This chemical is called Cinobufagin, and its CAS registry number is 470-37-1. With the molecular formula of C₂₆H₃₄O₆, its product category is Steroids. It has similar effects to digitalis and is used in traditional Chinese medicine. In addition, it's used as extinguishing agent.

Other characteristics of the Cinobufagin can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 42; (6)ACD/BCF (pH 7.4): 42; (7)ACD/KOC (pH 5.5): 503; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 85.36 Å²; (10)Index of Refraction: 1.595; (11)Molar Refractivity: 116.638 cm³; (12)Molar Volume: 343.102 cm³; (13)Polarizability: 46.239×10^-24cm³; (14)Surface Tension: 53.781 dyne/cm; (15)Density: 1.29 g/cm³; (16)Flash Point: 199.434 °C; (17)Enthalpy of Vaporization: 101.821 kJ/mol; (18)Boiling Point: 595.417 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C\1O\C=C(/C=C/1)[C@@H]4[C@@]6(C)CC[C@H]3[C@@H](CC[C@@H]2C[C@@H](O)CC[C@@]23C)[C@]65O[C@@H]5[C@@H]4OC(=O)C
2.InChI: InChI=1/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1
3.InChIKey: SCULJPGYOQQXTK-OLRINKBEBZ

The toxicity data is as follows: