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5-Androsten-3beta,7beta-diol-17-one
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Name

5-Androsten-3beta,7beta-diol-17-one

 EINECS N/A
CAS No. 2487-48-1 Density 1.194 g/cm3
PSA 57.53000 LogP 2.85000
Solubility N/A Melting Point 215-216 °C(Solv: acetone (67-64-1); cyclohexane (110-82-7))
Formula C19H28O3 Boiling Point 473.271 °C at 760 mmHg
Molecular Weight 304.43 Flash Point 254.138 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2487-48-1 (5-ANDROSTEN-3-BETA, 7-BETA-DIOL-17-ONE) Hazard Symbols N/A
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;

Article Data 48

5-Androsten-3beta,7beta-diol-17-one Synthetic route

7β-hydroxy-17-oxoandrost-5-ene-3β-yl acetate

2487-48-1

5-androsten-3β,7β-diol-17-one

Conditions
ConditionsYield
With sodium carbonate In methanol; water for 1.25h; Heating;83%
With water; sodium carbonate In methanol for 3h; Reflux;75%
53-43-0

dehydroepiandrosterone

2487-48-1

5-androsten-3β,7β-diol-17-one

Conditions
ConditionsYield
With Dipodia gossypina54%
mit Hilfe einer Rhizopus-Art;
With Botryodiplodia malorum In phosphate buffer; dimethyl sulfoxide at 30℃; for 72h; pH=6.0; Microbiological reaction;
53-43-0

dehydroepiandrosterone

A

566-19-8

5-androstene-3β-ol-7,17-dione

B

2487-48-1, 7522-54-5, 62357-03-3, 53-00-9

3β,7α-dihydroxyandrost-5-ene-17-one

C

2487-48-1

5-androsten-3β,7β-diol-17-one

Conditions
ConditionsYield
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%
53-43-0

dehydroepiandrosterone

A

2487-48-1, 7522-54-5, 62357-03-3, 53-00-9

3β,7α-dihydroxyandrost-5-ene-17-one

B

2487-48-1

5-androsten-3β,7β-diol-17-one

Conditions
ConditionsYield
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%
53-43-0

dehydroepiandrosterone

A

2487-48-1, 7522-54-5, 62357-03-3, 53-00-9

3β,7α-dihydroxyandrost-5-ene-17-one

B

2487-48-1

5-androsten-3β,7β-diol-17-one

C

10161-36-1

3β,5α,6β-trihydroxy-5α-androstan-17-one

D

39663-17-7

3β,11α-dihydroxyandrost-5-en-17-one

Conditions
ConditionsYield
With Cephalosporium aphidicola In ethanol; dimethyl sulfoxide for 192h;A 31%
B 25%
C 6%
D 6%
53-43-0

dehydroepiandrosterone

A

2487-48-1, 7522-54-5, 62357-03-3, 53-00-9

3β,7α-dihydroxyandrost-5-ene-17-one

B

2487-48-1

5-androsten-3β,7β-diol-17-one

C

2061-72-5

3β-hydroxy-13,17-secoandrost-5-ene-17,13α-lactone

D

4416-57-3

testololactone

Conditions
ConditionsYield
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%
853-23-6

prasterone acetate

A

566-19-8

5-androstene-3β-ol-7,17-dione

B

2487-48-1, 7522-54-5, 62357-03-3, 53-00-9

3β,7α-dihydroxyandrost-5-ene-17-one

C

2487-48-1

5-androsten-3β,7β-diol-17-one

D

58211-52-2

3β,14α-dihydroxyandrost-5-en-7,17-dione

Conditions
ConditionsYield
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%
188176-04-7

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

2487-48-1

5-androsten-3β,7β-diol-17-one

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; methanol at 60℃; for 29h;26%
53-43-0

dehydroepiandrosterone

A

24704-84-5

6α-hydroxy-androst-4-ene-3,17-dione

B

2243-05-2

5α-androst-3,6,17-trione

C

2487-48-1, 7522-54-5, 62357-03-3, 53-00-9

3β,7α-dihydroxyandrost-5-ene-17-one

D

2487-48-1

5-androsten-3β,7β-diol-17-one

E

62-84-0, 31427-20-0

7α-hydroxyandrost-4-ene-3,17-dione

F

63-00-3

6β-hydroxy-4-androstene-3,17-dione

Conditions
ConditionsYield
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%
...Expand
53-43-0

dehydroepiandrosterone

A

566-19-8

5-androstene-3β-ol-7,17-dione

B

2487-48-1, 7522-54-5, 62357-03-3, 53-00-9

3β,7α-dihydroxyandrost-5-ene-17-one

C

2487-48-1

5-androsten-3β,7β-diol-17-one

D

3β,7β-dihydroxy-5β,6β-epoxyandrostan-17-one

E

3β,4β,7β-trihydroxyandrost-5-en-17-one

F

3β,7α-dihydroxy-5β,6β-epoxyandrostan-17-one

G

3β,4β,7α-trihydroxyandrost-5-en-17-one

Conditions
ConditionsYield
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%
...Expand

5-Androsten-3beta,7beta-diol-17-one Specification

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

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