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| CAS No.: | 2590-41-2 |
|---|---|
| Name: | Dehydronandrolon |
| Molecular Structure: | |
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| Formula: | C20H26O3 |
| Molecular Weight: | 314.425 |
| Synonyms: | Estra-4,6-dien-3-one,17b-hydroxy-, acetate (6CI,7CI,8CI);17b-Acetoxyestra-4,6-dien-3-one;17b-Hydroxyestra-4,6-dien-3-oneacetate;6-Dehydro-19-nortestosterone acetate;6-Dehydronandrolone acetate;Estra-4,6-dien-3-one;Dehydronandrolon; |
| EINECS: | 643-000-1 |
| Density: | 1.15 g/cm3 |
| Melting Point: | -80 °C |
| Boiling Point: | 457.4 °C at 760 mmHg |
| Flash Point: | 200.6 °C |
| Hazard Symbols: |
 C, Xn, F
|
| Risk Codes: | R10; R22; R34; R52/53; R36/37/38; R36 |
| PSA: | 43.37000 |
| LogP: | 3.83590 |
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Specification
The Estra-4,6-dien-3-one,17-(acetyloxy)-, (17b)-, with CAS registry number 2590-41-2, has the systematic name of [(13S)-13-methyl-3-oxo-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate. And the chemical formula of this chemical is C20H26O3.
Physical properties of Estra-4,6-dien-3-one,17-(acetyloxy)-, (17b)-: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 43.37 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 87.94 cm3; (11)Molar Volume: 272.3 cm3; (12)Polarizability: 34.86×10-24cm3; (13)Surface Tension: 44 dyne/cm; (14)Density: 1.15 g/cm3; (15)Flash Point: 200.6 °C; (16)Enthalpy of Vaporization: 71.75 kJ/mol; (17)Boiling Point: 457.4 °C at 760 mmHg; (18)Vapour Pressure: 1.5E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OC1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34)C
(2)InChI: InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h3,5,11,15-19H,4,6-10H2,1-2H3/t15?,16?,17?,18?,19?,20-/m0/s1
(3)InChIKey: OGUASZAAVFYYIL-BROHZWGRBB
(4)Std. InChI: InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h3,5,11,15-19H,4,6-10H2,1-2H3/t15?,16?,17?,18?,19?,20-/m0/s1
(5)Std. InChIKey: OGUASZAAVFYYIL-BROHZWGRSA-N