CAS No.1169-20-6,3-Acetyloxypregn-16-en-20-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1169-20-6
Name:	3-Acetyloxypregn-16-en-20-one
Article Data:	44

Formula:	C₂₃H₃₄O₃
Molecular Weight:	358.521
Synonyms:	5a-Pregn-16-en-20-one, 3b-hydroxy-, acetate (6CI,7CI,8CI);3b-(Acetyloxy)-5a-pregn-16-en-20-one;3b-Acetoxy-5a-pregn-16-en-20-one;3b-Hydroxy-5a-pregn-16-en-20-one acetate;NSC166500;D16-Allopregnene-3b-ol-20-one acetate;
Density:	1.09g/cm³
Boiling Point:	454.7°Cat760mmHg
Flash Point:	195.1°C
PSA:	43.37000
LogP:	5.08610

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Specification

The 3-Acetyloxypregn-16-en-20-one with the cas number 1169-20-6 is also called Pregn-16-en-20-one,3-(acetyloxy)-, (3b,5a)-. The IUPAC name is (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate. Its molecular formula is C₂₃H₃₄O₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 5.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.57; (4)ACD/LogD (pH 7.4): 5.57; (5)ACD/BCF (pH 5.5): 10072.26; (6)ACD/BCF (pH 7.4): 10072.26; (7)ACD/KOC (pH 5.5): 25528.64; (8)ACD/KOC (pH 7.4): 25528.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 101.93 cm³; (15)Molar Volume: 328 cm³; (16)Polarizability: 40.41×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 71.43 kJ/mol ; (19)Vapour Pressure: 1.86×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)\C2=C\C[C@H]3[C@@H]4CCC1CC(CC[C@]1(C)[C@H]4CC[C@]23C)OC(C)=O
(2)InChI: InChI=1/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21H,5-6,8-13H2,1-4H3/t16?,17?,18-,20-,21-,22-,23+/m0/s1
(3)InChIKey: YFMSIVMSEGIVCP-VUBNBNKNBK