(17β)-Estr-4-en-17-ol supplier

Name
(8R,9R,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
EINECS
CAS No. 3646-30-8
Density 1.067 g/cm³
Solubility
Melting Point 98.5-100℃
Formula C₁₈H₂₈O
Boiling Point 383.92 °C at 760 mmHg
Molecular Weight 260.42
Flash Point 156.229 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Estr-4-en-17b-ol (6CI,7CI,8CI);NSC 75057;D4-Estren-17b-ol;
PSA 20.23000
LogP 4.31010

(17β)-Estr-4-en-17-ol Specification

(17β)-Estr-4-en-17-ol, with the CAS registry number 3646-30-8, is also named as Estr-4-en-17-ol, (17β)- (9CI). This chemical's molecular formula is C₁₈H₂₈O and molecular weight is 260.41. What's more, its systematic name is (17β)-Estr-4-en-17-ol.

Physical properties of (17β)-Estr-4-en-17-ol are: (1)ACD/LogP: 5.626; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.63; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 11111.02; (6)ACD/BCF (pH 7.4): 11111.02; (7)ACD/KOC (pH 5.5): 27386.69; (8)ACD/KOC (pH 7.4): 27386.69; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 78.336 cm³; (15)Molar Volume: 243.958 cm³; (16)Polarizability: 31.055×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.067 g/cm³; (19)Flash Point: 156.229 °C; (20)Enthalpy of Vaporization: 73.156 kJ/mol; (21)Boiling Point: 383.92 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1CC[C@H]2[C@H]4[C@H](CC[C@]12C)[C@@H]3\C(=C/CCC3)CC4
(2)Std. InChI: InChI=1S/C18H28O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h4,13-17,19H,2-3,5-11H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
(3)Std. InChIKey: CAFOMEFFALHXPZ-IZPLOLCNSA-N

Product Name

(8R,9R,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol

(17β)-Estr-4-en-17-ol Specification

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