Androsta-1,4-dien-3-one,17-hydroxy-6-methylene-, (17b)- (122370-91-6)

The Methylene boldenone, with CAS registry number 122370-91-6, belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Metabolites & Impurities; (3)Pharmaceuticals; (4)Steroids. It has the systematic name of (8R,10R,13S,17S)-17-hydroxy-10,13-dimethyl-6-methylene-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-one. And this chemical is a kind of off-white solid.

Physical properties of Methylene boldenone: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.075; (4)ACD/LogD (pH 7.4): 3.075; (5)ACD/BCF (pH 5.5): 127.923; (6)ACD/BCF (pH 7.4): 127.923; (7)ACD/KOC (pH 5.5): 1121.406; (8)ACD/KOC (pH 7.4): 1121.406; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 87.194 cm³; (15)Molar Volume: 261.655 cm³; (16)Polarizability: 34.566×10^-24cm³; (17)Surface Tension: 44.744 dyne/cm; (18)Enthalpy of Vaporization: 82.435 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]12CCC3[C@H](C1CC[C@@H]2O)CC(=C)C4=CC(=O)C=C[C@]34C
(2)InChI: InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15?,16?,18-,19+,20-/m0/s1
(3)InChIKey: NFDPYPMRHKQTDM-UDPADUBZBM
(4)Std. InChI: InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15?,16?,18-,19+,20-/m0/s1
(5)Std. InChIKey: NFDPYPMRHKQTDM-UDPADUBZSA-N