Pregn-4-ene-3,20-dione,11-hydroxy-, (11b)- supplier

Name
11BETA-HYDROXYPROGESTERONE
EINECS 209-995-8
CAS No. 600-57-7
Article Data13
CAS DataBase
Density 1.15 g/cm³
Solubility 30.84mg/L(37 oC)
Melting Point 181～184℃
Formula C₂₁H₃₀O₃
Boiling Point 487.4 °C at 760 mmHg
Molecular Weight 330.467
Flash Point 262.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 11b-Hydroxyprogesterone;(11β)-11-Hydroxypregn-4-ene-3,20-dione;(11b)-11-Hydroxypregn-4-ene-3,20-dione;11β-Hydroxy-4-pregnen-3,20-dione;11β-Hydroxyprogesterone;Pregn-4-ene-3,20-dione, 11β-hydroxy-;
PSA 54.37000
LogP 3.69430

Pregn-4-ene-3,20-dione,11-hydroxy-, (11b)- Specification

The Pregn-4-ene-3,20-dione,11-hydroxy-, (11b)-, with the CAS registry number 600-57-7, is also known as 11b-Hydroxyprogesterone. It belongs to the product category of Steroids. Its EINECS number is 209-995-8. This chemical's molecular formula is C₂₁H₃₀O₃ and molecular weight is 330.46. What's more, its systematic name is (11β)-11-hydroxypregn-4-ene-3,20-dione. Its classification codes are Hormone, Reproductive Effect.

Physical properties of Pregn-4-ene-3,20-dione,11-hydroxy-, (11b)- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.95; (6)ACD/BCF (pH 7.4): 37.95; (7)ACD/KOC (pH 5.5): 469.91; (8)ACD/KOC (pH 7.4): 469.91; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 92.46 cm³; (15)Molar Volume: 286.9 cm³; (16)Polarizability: 36.65×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 262.7 °C; (20)Enthalpy of Vaporization: 86.8 kJ/mol; (21)Boiling Point: 487.4 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)Std. InChI: InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
(3)Std. InChIKey: BFZHCUBIASXHPK-ATWVFEABSA-N

Product Name

11BETA-HYDROXYPROGESTERONE

Pregn-4-ene-3,20-dione,11-hydroxy-, (11b)- Specification

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