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Cas Database |
| Name |
Pregn-4-ene-3,20-dione,18,21-dihydroxy- |
EINECS | 206-834-3 |
| CAS No. | 379-68-0 | Density | 1.22 g/cm3 |
| PSA | 74.60000 | LogP | 2.66830 |
| Solubility | N/A | Melting Point |
171-173 °C |
| Formula | C21H30O4 | Boiling Point | 535.4 °C at 760 mmHg |
| Molecular Weight | 346.467 | Flash Point | 291.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
11-Deoxy-18-hydroxycorticosterone;18,21-Dihydroxypregn-4-ene-3,20-dione;18-Hydroxy-11-deoxycorticosterone;18-Hydroxydeoxycorticosterone; |
Article Data | 6 |
Pregn-4-ene-3,20-dione,18,21-dihydroxy- Synthetic route
| Conditions | Yield |
|---|---|
| mit Hilfe von homogenisierten Rinder-Nebennieren; |
- 56896-04-9
18,20-epoxy-pregna-4,20-dien-3-one
- 379-68-0
18-Hydroxydeoxycorticosterone
| Conditions | Yield |
|---|---|
| With 1,4-dioxane; osmium(VIII) oxide anschliessendes Behandeln mit wss.Na2SO3; | |
| With 1,4-dioxane; osmium(VIII) oxide anschliessendes Behandeln mit wss.Na2SO3; |
- 64-85-7
21-Hydroxyprogesterone
A
- 6251-69-0
aldosterone
B
- 50-22-6
Corticosterone
C
- 379-68-0
18-Hydroxydeoxycorticosterone
| Conditions | Yield |
|---|---|
| With Krebs-Ringer-bicarbonate-glucose buffer; male CHBB-Thom rat adrenal mitochondria; NADPH Kinetics; partial inhib. by cortisol; |
- 102543-82-8
21-(dimethyl-oxy-amino)-18,20βF-epoxy-pregn-4-en-3-one
- 379-68-0
18-Hydroxydeoxycorticosterone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tert-butylbenzene 2: OsO4; dioxane / anschliessendes Behandeln mit wss.Na2SO3 View Scheme |
- 379-68-0
18-Hydroxydeoxycorticosterone
- 2295-78-5
18-hydroxy-4-androstene-3-one-17β-carboxylic acid lactone
| Conditions | Yield |
|---|---|
| With 1,4-dioxane; periodic acid |
- 379-68-0
18-Hydroxydeoxycorticosterone
- 2921-14-4, 7776-18-3, 20295-82-3
(aminooxy)acetic acid hemihydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol for 0.333333h; Ambient temperature; | 17.1 mg |
- 379-68-0
18-Hydroxydeoxycorticosterone
- 2921-14-4, 7776-18-3, 20295-82-3
(aminooxy)acetic acid hemihydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol for 0.25h; Kinetics; Ambient temperature; 3H-labeled; | A 17.1 mg B n/a |
Pregn-4-ene-3,20-dione,18,21-dihydroxy- Specification
The Pregn-4-ene-3,20-dione,18,21-dihydroxy- is an organic compound with the formula C21H30O4. The IUPAC name of this chemical is (8R,9S,10R,13R,14S,17S)-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one. With the CAS registry number 379-68-0, it is also named as 11-Deoxy-18-hydroxycorticosterone.
Physical properties about Pregn-4-ene-3,20-dione,18,21-dihydroxy- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 11.67; (5)ACD/BCF (pH 7.4): 11.67; (6)ACD/KOC (pH 5.5): 202.01; (7)ACD/KOC (pH 7.4): 202.01; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 94.02 cm3; (14)Molar Volume: 283.6 cm3; (15)Polarizability: 37.27×10-24cm3; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.22 g/cm3; (18)Flash Point: 291.7 °C; (19)Enthalpy of Vaporization: 93.38 kJ/mol; (20)Boiling Point: 535.4 °C at 760 mmHg; (21)Vapour Pressure: 1.06E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)CO)(C)CC4
(2)InChI: InChI=1/C21H30O4/c1-20-8-6-14(24)10-13(20)2-3-15-16(20)7-9-21(12-23)17(15)4-5-18(21)19(25)11-22/h10,15-18,22-23H,2-9,11-12H2,1H3/t15-,16+,17+,18-,20+,21-/m1/s1
(3)InChIKey: VPJHREHKRNIYDB-TZGXILGRBD
(4)Std. InChI: InChI=1S/C21H30O4/c1-20-8-6-14(24)10-13(20)2-3-15-16(20)7-9-21(12-23)17(15)4-5-18(21)19(25)11-22/h10,15-18,22-23H,2-9,11-12H2,1H3/t15-,16+,17+,18-,20+,21-/m1/s1
(5)Std. InChIKey: VPJHREHKRNIYDB-TZGXILGRSA-N
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