CAS No.38680-83-0,Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9b,11b)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38680-83-0
Name:	Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9b,11b)-
Article Data:	9

Formula:	C₂₃H₂₈O₆
Molecular Weight:	400.472
Synonyms:	9b-Pregna-1,4-diene-3,20-dione,9,11b-epoxy-17,21-dihydroxy-,21-acetate (6CI);21-Acetoxy-9b,11b-epoxy-17a-hydroxy-pregna-1,4-dien-3.20-dion;
EINECS:	254-079-3
Density:	1.325 g/cm³
Boiling Point:	572.7 °C at 760 mmHg
Flash Point:	197.8 °C
PSA:	93.20000
LogP:	2.28890

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Specification

The 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate with the cas number 38680-83-0, is also called (9beta,11beta)-17-Hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate and pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9beta,11beta)-. And it's EINECS is 254-079-3.

Physical properties about 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate are: (1)ACD/LogP: 1.05 ; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6 ; (4)#H bond donors: 1 ; (5)#Freely Rotating Bonds: 5 ; (6)Polar Surface Area: 93.2 Å² ; (7)Index of Refraction: 1.599 ; (8)Molar Refractivity: 103.259 cm³ ; (9)Molar Volume: 302.309 cm³ ; (10)Polarizability: 40.935 10-24cm3 ; (11)Surface Tension: 56.186 dyne/cm ; (12)Density: 1.325 g/cm³ ; (13)Flash Point: 197.832 °C ; (14)Enthalpy of Vaporization: 98.596 kJ/mol ; (15)Boiling Point: 572.721 °C at 760 mmHg ; (16)Vapour Pressure: 0 mmHg at 25°C

You can still convert the following datas into molecular structure :
(1).SMILES: O=C(OCC(=O)[C@]3(O)[C@]2(C[C@@H]5O[C@]45[C@@]/1(/C(=C\C(=O)\C=C\1)CC[C@H]4[C@@H]2CC3)C)C)C
(2).InChI:InChI=1/C23H28O6/c1-13(24)28-12-18(26)22(27)9-7-16-17-5-4-14-10-15(25)6-8-20(14,2)23(17)19(29-23)11-21(16,22)3/h6,8,10,16-17,19,27H,4-5,7,9,11-12H2,1-3H3/t16-,17-,19-,20-,21-,22-,23+/m0/s1