(4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one

Basic Information

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CAS Number

53-39-4

Molecular Formula

C19H30O3

Molecular Weight

306.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

235-238°C

Boiling Point

444.4°C at 760mmHg

Flash Point

179.1°C

Solubility

DMSO: soluble2mg/mL (clear solution; warmed)

Refractive Index

1.526

Vapor Pressure

9.19E-10mmHg at 25°C

Specific Rotation

D25 -23° (c = approx 1% in chloroform)

SMILES

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C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C

InChI

InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1

InChIKey

QSLJIVKCVHQPLV-PEMPUTJUSA-N

LogP

3.5431000000000026

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

503

Synonyms & References

English

Oxandrolone
5-ALPHA-ANDROSTAN-2-OXA-17-ALPHA-METHYL-17 BETA-OL-3-ONE
17beta-Hydroxy-17alpha-methyl-2-oxa-5alpha-androstan-3-one
17-beta-hydroxy-17-methyl-2-oxa-5-alpha-androstan-3-on
17beta-hydroxy-17-methyl-2-oxa-5alpha-androstan-3-on
17-beta-hydroxy-17-methyl-2-oxa-androstan-3-one
17-hydroxy-17-methyl-,(5-alpha,17-beta)-2-oxaandrostan-3-on
(1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one
Oxandrolone(Anavar)
Anavar knightlabs_leeisun
Lonavar
Ossandrolone
Oxandrin
Oxandrolona
Oxandrolonum
Protivar
Provitar
Vasorome
17beta-Hydroxy-17-methyl-2-oxa-5alpha-androstan-3-one

FAQ

What are the physical and chemical properties of (4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one (CAS: 53-39-4)?

The compound (4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one (CAS: 53-39-4) is a solid with a crystalline form. Its molecular weight is approximately 362.43 g/mol, and it has a low water solubility at 0.01 g/L. It shows moderate reactivity towards bases and is stable under acidic conditions. The compound exhibits good hydrophobic properties and is insoluble in water but soluble in organic solvents like dichloromethane and ethanol.

How is (4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one (CAS: 53-39-4) typically synthesized?

(4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one (CAS: 53-39-4) can be synthesized through a multistep process involving cyclization, hydroxylation, and trimethylation reactions. Commonly, this compound is prepared using a Wittig reaction followed by a hydrogenation step. The process typically yields a product with a high degree of purity, and the yield is around 75-80%.

What industries use (4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one (CAS: 53-39-4)?

(4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one (CAS: 53-39-4) is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It also finds applications in the semiconductor industry as a precursor for organic semiconductor materials. Additionally, it can be used in the development of new materials for sensors and polymers due to its unique chemical properties.

What precautions should be taken when handling (4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one (CAS: 53-39-4)?

When handling (4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one (CAS: 53-39-4), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin and eye contact. The compound should be handled in a fume hood to minimize inhalation risk. In case of a spill, immediately evacuate the area and clean up the spill using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed information on handling and emergency procedures.