Pregn-4-ene-3,11,20-trione,6,17,21-trihydroxy-, (6b)- supplier

Name
4-PREGNEN-6-BETA, 17,21-TRIOL-3,11,20-TRIONE
EINECS
CAS No. 16355-28-5
Density 1.35g/cm³
Solubility
Melting Point
Formula C₂₁H₂₈O₆
Boiling Point 615.1 °C at 760 mmHg
Molecular Weight 376.45
Flash Point 339.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Corticosterone,11-dehydro-6b,17-dihydroxy-(6CI);Pregn-4-ene-3,11,20-trione, 6b,17,21-trihydroxy- (7CI,8CI);6b,17a,21-Trihydroxy-4-pregnene-3,11,20-trione;6b-Hydroxycortisone;NSC 15457;
PSA 111.90000
LogP 0.96060

Pregn-4-ene-3,11,20-trione,6,17,21-trihydroxy-, (6b)- Specification

The Pregn-4-ene-3,11,20-trione,6,17,21-trihydroxy-, (6b)-, with CAS registry number 16355-28-5, has the systematic name of 6,17,21-trihydroxypregn-4-ene-3,11,20-trione. Besides this, it is also called 4-Pregnen-6-beta, 17,21-triol-3,11,20-trione. And the chemical formula of this chemical is C₂₁H₂₈O₆.

Physical properties of Pregn-4-ene-3,11,20-trione,6,17,21-trihydroxy-, (6b)-: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 78.9 Å²; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 95.68 cm³; (9)Molar Volume: 278.2 cm³; (10)Polarizability: 37.93×10^-24cm³; (11)Surface Tension: 63.1 dyne/cm; (12)Density: 1.35 g/cm³; (13)Flash Point: 339.8 °C; (14)Enthalpy of Vaporization: 104.64 kJ/mol; (15)Boiling Point: 615.1 °C at 760 mmHg; (16)Vapour Pressure: 1.06E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CO)C3(O)CCC2C4CC(O)\C1=C\C(=O)CCC1(C)C4C(=O)CC23C
(2)InChI: InChI=1/C21H28O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15,18,22,24,27H,3-6,8-10H2,1-2H3
(3)InChIKey: BCHHPSBWEQCAPG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C21H28O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15,18,22,24,27H,3-6,8-10H2,1-2H3
(5)Std. InChIKey: BCHHPSBWEQCAPG-UHFFFAOYSA-N

Product Name

4-PREGNEN-6-BETA, 17,21-TRIOL-3,11,20-TRIONE

Pregn-4-ene-3,11,20-trione,6,17,21-trihydroxy-, (6b)- Specification

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