CAS No.808-48-0,Desoxycorticosterone pivalate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	808-48-0
Name:	Desoxycorticosterone pivalate

Formula:	C₂₆H₃₈O₄
Molecular Weight:	414.585
Synonyms:	11-Deoxycorticosterone,pivalate (8CI);Corticosterone, deoxy-, pivalate (6CI,7CI);Pivalic acid, esterwith 11-deoxycorticosterone (8CI);21-Hydroxypregn-4-ene-3,20-dione pivalate;Cortexone M;DOCP;DTMA;Deoxycorticosterone pivalate;Deoxycorticosteronetrimethylacetate;Deoxycortone pivalate;Deoxycortone trimethylacetate;Desoxycorticosterone pivalate;Desoxycorticosterone trimethylacetate;Desoxycortisone pivalate;Desoxycortone pivalate;NSC 95278;Neodin-Depositum;Percorten M;Percorten Pivalate;
EINECS:	212-366-0
Density:	1.111 g/cm³
Melting Point:	198-204 °C
Boiling Point:	529.012 °C at 760 mmHg
Flash Point:	225.517 °C
PSA:	60.44000
LogP:	5.29290

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Specification

The CAS register number of Desoxycorticosterone pivalate is 808-48-0. It also can be called as 21-Hydroxy-4-pregnene-3,20-dione pivalate and the IUPAC name about this chemical is [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]2,2-dimethylpropanoate. The molecular formula about this chemical is C₂₆H₃₈O₄and molecular weight is 414.58. Classification code about this chemical are Adrenocortical steroid [salt-regulating] and Drug / Therapeutic Agent.

Physical properties about Desoxycorticosterone pivalate are: (1)ACD/LogP: 4.85; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 60.44Å²; (5)Index of Refraction: 1.534; (6)Molar Refractivity: 115.974 cm³; (7)Molar Volume: 373.091 cm³; (8)Polarizability: 45.976x10^-24cm³; (9)Surface Tension: 42.765 dyne/cm; (10)Enthalpy of Vaporization: 80.396 kJ/mol; (11)Boiling Point: 529.012 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)[C@H]1CC[C@H]2[C@H]4[C@H](CC[C@]12C)[C@@]3(/C(=C\C(=O)CC3)CC4)C)C(C)(C)C
(2)InChI: InChI=1/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1
(3)InChIKey: VVOIQBFMTVCINR-WWMZEODYBW
(4)Std. InChI: InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1
(5)Std. InChIKey: VVOIQBFMTVCINR-WWMZEODYSA-N