(10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one

Basic Information

$(10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one$

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CAS Number

6218-29-7

Molecular Formula

C18H24O2

Molecular Weight

258.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

No data available

Melting Point

190°C

Boiling Point

466.8±45.0 °C at 760 mmHg

Density

1.17

Flash Point

198.6±21.3 °C

Refractive Index

1.585

SMILES

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CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O

InChI

InChI=1S/C17H22O2/c18-11-2-4-12-10(9-11)1-3-14-13(12)5-6-16-15(14)7-8-17(16)19/h9,14-17,19H,1-8H2/t14-,15+,16?,17+/m1/s1

InChIKey

WJMRWIKIHXHRJA-GLDWBXLXSA-N

LogP

3.1632000000000016

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

528

Synonyms & References

English

3-OXO-4,9-ESTRADIEN-17.BETA.-OL
ESTRA-4,9-DIENE-17.BETA.-OL-3-ONE
BDBM50422635
Estra-4,9-diene-17beta-ol-3-one
UNII-ZX4VV1AKUF
4,9-Estradien-17beta-ol-3-one
9,10-Dehydro-19-nortestosterone
17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SCHEMBL3867182
DTXSID80471835
CHEMBL2311179
Estra-4,9-dien-3-one, 17-hydroxy-, (17beta)-
3-Oxo-4,9-estradien-17beta-ol
(17.BETA.)-17-HYDROXYESTRA-4,9-DIEN-3-ONE
17-
ZX4VV1AKUF
17beta-Hydroxyestra-4,9-dien-3-one
A-Hydroxyestra-4,9-dien-3-one
4,9-ESTRADIEN-17.BETA.-OL-3-ONE
RU-3118
CS-0212818
Q27295932
ESTRA-4,9-DIEN-3-ONE, 17-HYDROXY-, (17.BETA.)-
6218-29-7
17 beta-Hydroxy-4,9-estradien-3-one
EC 612-953-5
(17beta)-17-Hydroxyestra-4,9-dien-3-one
17beta-hydroxy-estra-4,9(10)-dien-3-one
17.BETA.-HYDROXYESTRA-4,9-DIEN-3-ONE
9 pound not10-Dehydro-19-nortestosterone
D4162

MDL Number

MFCD08457892

FAQ

What regulatory guidelines apply to (10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one (CAS: 6218-29-7)?

The compound (10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one (CAS: 6218-29-7) is subject to various regulatory guidelines, including those outlined by the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and the FDA and EPA in the United States. Specific handling, storage, and disposal guidelines must be adhered to based on its physical and chemical properties, potential health and environmental impacts, and intended use.

Are there alternatives to (10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one (CAS: 6218-29-7) in synthesis?

There are alternative reagents and compounds that can be used in the synthesis of (10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one (CAS: 6218-29-7). For example, various hydroxylation and dienone precursors can be explored, along with isomer analogs. It is important to consider the specific reaction conditions, yield, and desired product purity when selecting alternatives.

What is the market or research trend for (10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one (CAS: 6218-29-7)?

The market and research trends for (10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one (CAS: 6218-29-7) are closely tied to its applications in pharmaceuticals, agrochemicals, and material sciences. Research is focusing on its potential as a precursor for synthesizing bioactive molecules and novel materials. Market trends indicate increasing demand due to its unique chemical structure and reactivity.

How should waste containing (10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one (CAS: 6218-29-7) be handled?

Waste containing (10S,11S,14S)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one (CAS: 6218-29-7) should be managed according to specific waste disposal regulations. Proper waste liquid collection and incineration methods should be employed, ensuring compliance with local and international environmental protection standards. Disposal should be conducted by qualified professionals to minimize environmental impact and ensure safety.