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CAS No.: | 2487-48-1 |
---|---|
Name: | 5-ANDROSTEN-3-BETA, 7-BETA-DIOL-17-ONE |
Article Data: | 48 |
Molecular Structure: | |
Formula: | C19H28O3 |
Molecular Weight: | 304.43 |
Synonyms: | Androst-5-en-17-one,3β,7b-dihydroxy- (7CI,8CI);(3β,7β,8ξ,9ξ,14ξ)-3,7-dihydroxyandrost-5-en-17-one;5-Androsten-3β,7β-diol-17-one; |
Density: | 1.194 g/cm3 |
Melting Point: | 215-216 °C(Solv: acetone (67-64-1); cyclohexane (110-82-7)) |
Boiling Point: | 473.271 °C at 760 mmHg |
Flash Point: | 254.138 °C |
PSA: | 57.53000 |
LogP: | 2.85000 |
5-androsten-3β,7β-diol-17-one
Conditions | Yield |
---|---|
With sodium carbonate In methanol; water for 1.25h; Heating; | 83% |
With water; sodium carbonate In methanol for 3h; Reflux; | 75% |
Conditions | Yield |
---|---|
With Dipodia gossypina | 54% |
mit Hilfe einer Rhizopus-Art; | |
With Botryodiplodia malorum In phosphate buffer; dimethyl sulfoxide at 30℃; for 72h; pH=6.0; Microbiological reaction; |
dehydroepiandrosterone
A
5-androstene-3β-ol-7,17-dione
B
3β,7α-dihydroxyandrost-5-ene-17-one
C
5-androsten-3β,7β-diol-17-one
Conditions | Yield |
---|---|
With Mortierella isabellina AM212 fungal strain for 12h; Enzymatic reaction; | A 6% B 53.5% C 24% |
With Absidia coerulea AM93 In acetone at 20℃; for 8h; Time; Enzymatic reaction; | A 5.5% B 22% C 49% |
dehydroepiandrosterone
A
3β,7α-dihydroxyandrost-5-ene-17-one
B
5-androsten-3β,7β-diol-17-one
Conditions | Yield |
---|---|
With Aspergillus wentii MRC 200316 In water; N,N-dimethyl-formamide at 27℃; for 120h; pH=7.2; Culture medium; Microbiological reaction; Enzymatic reaction; | A 51% B 12% |
With dipotassium hydrogenphosphate; magnesium sulfate heptahydrate; Maltose for 96h; Enzymatic reaction; | A 43.6% B 12.6% |
With Mucor racemosus In acetone at 27℃; for 96h; | A 40.9% B 18% |
dehydroepiandrosterone
A
3β,7α-dihydroxyandrost-5-ene-17-one
B
5-androsten-3β,7β-diol-17-one
C
3β,5α,6β-trihydroxy-5α-androstan-17-one
D
3β,11α-dihydroxyandrost-5-en-17-one
Conditions | Yield |
---|---|
With Cephalosporium aphidicola In ethanol; dimethyl sulfoxide for 192h; | A 31% B 25% C 6% D 6% |
dehydroepiandrosterone
A
3β,7α-dihydroxyandrost-5-ene-17-one
B
5-androsten-3β,7β-diol-17-one
C
3β-hydroxy-13,17-secoandrost-5-ene-17,13α-lactone
D
testololactone
Conditions | Yield |
---|---|
With Aspergillus tamarii MRC 72400 In N,N-dimethyl-formamide at 25℃; for 120h; Baeyer-Villiger oxidation; Microbiological reaction; | A 24% B 13% C 28% D 6% |
prasterone acetate
A
5-androstene-3β-ol-7,17-dione
B
3β,7α-dihydroxyandrost-5-ene-17-one
C
5-androsten-3β,7β-diol-17-one
D
3β,14α-dihydroxyandrost-5-en-7,17-dione
Conditions | Yield |
---|---|
With Cunninghamella elegans In ethanol for 72h; Further byproducts given; | A 5.4% B 26.8% C 9% D 1.1% |
With Cunninghamella elegans In ethanol for 72h; Further byproducts given; | A 5.4% B 26.8% C 9% D 1.1% |
Benzoic acid (3S,7R,8R,9S,10R,13S,14S)-7-isobutyryloxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
5-androsten-3β,7β-diol-17-one
Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran; methanol at 60℃; for 29h; | 26% |
dehydroepiandrosterone
A
6α-hydroxy-androst-4-ene-3,17-dione
B
5α-androst-3,6,17-trione
C
3β,7α-dihydroxyandrost-5-ene-17-one
D
5-androsten-3β,7β-diol-17-one
E
7α-hydroxyandrost-4-ene-3,17-dione
F
6β-hydroxy-4-androstene-3,17-dione
Conditions | Yield |
---|---|
With Cladosporium sphaerospermum MRC 70266 In water; N,N-dimethyl-formamide at 28℃; for 120h; Enzymatic reaction; | A 5% B 4% C 20% D 4% E 6% F 15% |
dehydroepiandrosterone
A
5-androstene-3β-ol-7,17-dione
B
3β,7α-dihydroxyandrost-5-ene-17-one
C
5-androsten-3β,7β-diol-17-one
Conditions | Yield |
---|---|
With Ulocladium chartarum MRC 72584 In water; N,N-dimethyl-formamide at 28℃; for 120h; Enzymatic reaction; | A 6% B 12% C 16% D 3% E 4% F 2% G 3% |
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The 5-Androsten-3beta,7beta-diol-17-one, with the CAS registry number 2487-48-1, has the systematic name of (3β,7β,8ξ,9ξ,14ξ)-3,7-dihydroxyandrost-5-en-17-one. It belongs to the product category of Steroid. And the molecular formula of the chemical is C19H28O3.
The characteristics of 5-Androsten-3beta,7beta-diol-17-one are as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 195; (8)ACD/KOC (pH 7.4): 195; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 84.626 cm3; (15)Molar Volume: 254.951 cm3; (16)Polarizability: 33.548×10-24cm3; (17)Surface Tension: 50.195 dyne/cm; (18)Density: 1.194 g/cm3; (19)Flash Point: 254.138 °C; (20)Enthalpy of Vaporization: 84.887 kJ/mol; (21)Boiling Point: 473.271 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C3[C@]2(CCC1[C@@]4(C(=C/[C@H](O)C1C2CC3)\C[C@@H](O)CC4)C)C
(2)InChI: InChI=1/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13?,14?,15-,17?,18-,19-/m0/s1
(3)InChIKey: OLPSAOWBSPXZEA-XAAWLDLRBV