Pregna-4,17(20)-diene-3,16-dione,(17Z)- (39025-23-5)

The CAS register number of (Z)-Guggulsterone is 39025-23-5. It also can be called as (17Z)-Pregna-4,17(20)-diene-3,16-dione and the systematic name about this chemical is (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione. The molecular formula about this chemical is C₂₁H₂₈O₂ and the molecular weight is 312.45. This chemical is irritating to respiratory system. When you are using it, wear suitable protective clothing.

Physical properties about (Z)-Guggulsterone are: (1)ACD/LogP: 3.65; (2)ACD/LogD (pH 5.5): 3.65; (3)ACD/LogD (pH 7.4): 3.65; (4)ACD/BCF (pH 5.5): 347.45; (5)ACD/BCF (pH 7.4): 347.45; (6)ACD/KOC (pH 5.5): 2292.84; (7)ACD/KOC (pH 7.4): 2292.84; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14Ų; (10)Index of Refraction: 1.557; (11)Molar Refractivity: 90.65 cm³; (12)Molar Volume: 281.5 cm³; (13)Polarizability: 35.94x10^-24cm³; (14)Surface Tension: 42.2 dyne/cm; (15)Enthalpy of Vaporization: 72.45 kJ/mol; (16)Boiling Point: 463.3 °C at 760 mmHg; (17)Vapour Pressure: 9.21E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3/[C@@](C)([C@H]2CC[C@@]1(C(/C(=O)C[C@H]1[C@@H]2CC3)=C/C)C)CC4
(2)InChI: InChI=1/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
(3)InChIKey: WDXRGPWQVHZTQJ-OSJVMJFVBE
(4)Std. InChI: InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
(5)Std. InChIKey: WDXRGPWQVHZTQJ-OSJVMJFVSA-N