17-Epidrospirenone

Basic Information

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CAS Number

90457-65-1

Molecular Formula

C24H30O3

Molecular Weight

366.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C

InChI

InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24-/m1/s1

InChIKey

METQSPRSQINEEU-BCOSXLPSSA-N

LogP

4.305900000000004

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

828

Synonyms & References

English

17-Epidrospirenone
17R-Drospirenone
UNII-525L697X6M
dihydrospirorenone
(6R,7R,8R,9S,10R,13S,14S,15S,16S,17R)-1,3′,4′,6,7,8,9,10,11,12,13,14,15,16,20,21-Hexadecahydro-10,13-dimethylspiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2′(5′H)-furan]-3,5′(2H)-dione (ACI)
Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2′(5′H)-furan]-3,5′(2H)-dione, 1,3′,4′,6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-10,13-dimethyl-, [6R-(6α,7α,8β,9α,10β,13β,14α,15α,16α,17α)]- (9CI)
17-epi-Drospirenone
Isodrospirenone
(4aR,4bS,6aS,7R,7aS,8aS,8bS,8cR,8dR,9aR)-4a,6a-Dimethyl-3',4,4a,4b,4',5,6,6a,7a,8,8a,8b,8c,8d,9,9a-hexadecahydro-5'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-7,2'-furan]-2,5'(3H
DROSPIRENONE IMPURITY E (EP IMPURITY)
90457-65-1
3-Oxo-6alpha,7alpha,15alpha,16alpha-tetrahydro-3'H,3''H-dicyclopropa[6,7:15,16]pregn-4-ene-21,17-carbolactone (17-Epidrospirenone)
Spiro(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3,5'(2H)-dione, 1,3',4',6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-10,13-dimethyl-, (6R,7R,8R,9S,10R,13S,14S,15S,16S,17R)-
DROSPIRENONE IMPURITY E [EP IMPURITY]
17(R)-Drospirenone
Q27260964
Drospirenone impurity E [EP]
525L697X6M
(1R,2R,4R,10R,11S,14S,15R,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
DTXSID10238175
Drospirenone impurity E
DTXCID30160666

FAQ

What are the physical and chemical properties of 17-Epidrospirenone (CAS: 90457-65-1)?

17-Epidrospirenone (CAS: 90457-65-1) is a white crystalline solid with a molecular weight of approximately 316.37 g/mol. It has low water solubility but is soluble in organic solvents such as methanol and acetone. Chemically, it is relatively stable but can react with strong oxidizing agents. It is used as a precursor in natural product synthesis and drug discovery.

How is 17-Epidrospirenone (CAS: 90457-65-1) typically synthesized?

17-Epidrospirenone (CAS: 90457-65-1) is typically synthesized via a hydrogenation reaction of 17-epidrosterone, followed by a series of functional group transformations. Common methods include the use of palladium catalysts in the hydrogenation step, and subsequent steps involve regioselective reductions and esterifications to achieve the desired product.

What industries use 17-Epidrospirenone (CAS: 90457-65-1)?

17-Epidrospirenone (CAS: 90457-65-1) is primarily used in the pharmaceutical industry as a precursor for natural product synthesis and drug discovery. It is also of interest in the chemical industry for its potential use in the development of new materials and in the field of analytical chemistry as a standard for certain analytical techniques.

What precautions should be taken when handling 17-Epidrospirenone (CAS: 90457-65-1)?

When handling 17-Epidrospirenone (CAS: 90457-65-1), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or in a fume hood to prevent inhalation of any vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.