CAS No.2487-48-1,5-ANDROSTEN-3-BETA, 7-BETA-DIOL-17-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2487-48-1
Name:	5-ANDROSTEN-3-BETA, 7-BETA-DIOL-17-ONE
Article Data:	48

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

Synthetic route

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

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
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

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;

: 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

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%

...Expand

: 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

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%

: 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

Conditions	Yield
With Cephalosporium aphidicola In ethanol; dimethyl sulfoxide for 192h;	A 31% B 25% C 6% D 6%

...Expand

: 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

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%

...Expand

: 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

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%

...Expand

: 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

Conditions	Yield
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

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%

...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

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%

...Expand

Raw Materials

979-02-2

853-23-6

512-04-9

53-43-0

Downstream Products

566-19-8

Total:37 Page 1 of 1 1

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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