(2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol

Basic Information

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CAS Number

511-96-6

Molecular Formula

C27H44O4

Molecular Weight

432.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

272-273 ºC

Boiling Point

466.26°C (rough estimate)

Solubility

N/A

Refractive Index

1.4840 (estimate)

Specific Rotation

D20 -75° (c = 1.02 in CHCl3)

SMILES

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CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1

InChI

InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27+/m1/s1

InChIKey

FWCXELAAYFYCSR-ZVJKNZFNSA-N

LogP

4.764600000000004

Topological Polar Surface Area

58.92 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

726

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

5alpha,22alpha-Spirostane-2alpha,3beta-diol
C08899
511-96-6
HY-N2574
60ZMY8IH51
AI3-62266
Digine
AC-35113
(25r,s)-5alpha-spirostane-2alpha,3beta-diol
AKOS016009639
Digin
CS-0022911
CHEMBL1770687
LMST01080010
Gitogenin
DTXSID101023656
SCHEMBL23524443
NSC 147752
A,5alpha,25R)-Spirostan-2,3-diol
GITOGENIN [MI]
CHEBI:5363
(25R)-5alpha-Spirostan-2alpha,3beta-diol
MFCD00273328
Spirostan-2,3-diol, (2alpha,3beta,5alpha,25R)-
5alpha-Spirostan-2alpha,3beta-diol, (25R)-
A927966
(2alpha,3
MS-27723
UNII-60ZMY8IH51
Spirostan-2,3-diol, (2a,3b,5a,25R)-
Q5880476

MDL Number

MFCD00273328

FAQ

What regulatory guidelines apply to (2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol (CAS: 511-96-6)?

The (2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol (CAS: 511-96-6) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a Category 3 sensitiser. It is also subject to the European Union’s REACH regulations, which require manufacturers and importers to register substances with the European Chemicals Agency (ECHA). Additionally, the FDA and EPA have specific requirements for the handling and reporting of this chemical due to its potential allergenic effects and environmental impacts.

Are there alternatives to (2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol (CAS: 511-96-6) in synthesis?

Yes, there are several alternatives to (2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol (CAS: 511-96-6) in synthesis. Common alternatives include (3beta,5alpha,22S,25R)-Spirostan-3,22-diol and (2alpha,3alpha,5alpha,22S,25R)-Spirostan-2,3-diol, which can be used as isomers or analogs. Researchers also explore the use of synthetic intermediates such as spirostanolones and other steroidal compounds as substitutes.

What is the market or research trend for (2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol (CAS: 511-96-6)?

The market for (2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol (CAS: 511-96-6) is currently focused on its use in dermatological applications, particularly as a skin sensitiser. Research trends are shifting towards understanding its role in allergic contact dermatitis and exploring its potential in topical drug delivery systems. Additionally, there is growing interest in the chemical's environmental impact and the development of more sustainable synthesis methods.

How should waste containing (2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol (CAS: 511-96-6) be handled?

Waste containing (2alpha,3beta,5alpha,22S,25R)-Spirostan-2,3-diol (CAS: 511-96-6) should be collected in appropriate containers and disposed of according to local hazardous waste regulations. Safe disposal methods include incineration or professional waste disposal facilities that can handle hazardous chemicals. Environmental protection precautions include minimizing the release of the substance into the environment and ensuring that all waste is treated to neutralize any residual sensitiser effects. It is important to follow all regulatory guidelines and best practices to ensure safe and effective waste management.