(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

Basic Information

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CAS Number

95716-70-4

Molecular Formula

C24H30O5

Molecular Weight

398.49 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

Boiling Point

580.2°C at 760 mmHg

SMILES

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CC12CCC(=O)C=C1CC(C3C2=CCC4(C3CCC45CCC(=O)O5)C)C(=O)OC

InChI

InChI=1S/C24H30O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h5,12,16,18,20H,4,6-11,13H2,1-3H3/t16-,18+,20-,22+,23+,24-/m1/s1

InChIKey

GWEKWJOSBYDYDP-DPOGTSLVSA-N

LogP

3.913300000000003

Topological Polar Surface Area

69.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

869

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H402 Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

Pregna-4,9(11)-diene-7,21-dicarboxylic acid,17-hydroxy-3-oxo-g-lactone,methyl ester(7a,17a)-
Δ9,11-Eplerenone
(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
(7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylic acid g-lactone methyl ester
Eplerenone intermediate
Pregna-4,9(11)-diene-7,21-dicarboxylicacid, 17-hydroxy-3-oxo-, g-lactone, methyl ester, (7a,17a)- (9CI)
7a-(Methoxycarbonyl)-9(11)D-canrenone
D9,11-Eplerenone
Methyl (8R,10S,13S,14R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopen
Pregna-4,9(11)-diene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, methyl ester, (7α,17α)- (9CI)
7α-(Methoxycarbonyl)-9(11)Δ-canrenone
methyl (7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
Pregna-4,9(11)-diene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, ?-lactone, 7-methyl ester, (7a,17a)-; Pregna-4,9(11)-diene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, ?-lactone, methyl ester, (7a,17a)- (9CI); 7a-(Methoxycarbonyl)-9(11)?-canrenone; ?9,11-Eplerenone; 7a-(Methoxycarbonyl)-3-oxo-17a-pregna-4,9(11)-diene-21,17-carbolactone
95716-70-4
DS-1266
(7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester
METHYL (1R,3AS,3BR,4R,9AS,11AS)-9A,11A-DIMETHYL-5',7-DIOXO-3,3A,3B,4,5,8,9,11-OCTAHYDRO-2H-SPIRO[CYCLOPENTA[A]PHENANTHRENE-1,2'-OXOLANE]-4-CARBOXYLATE
Delta9,11-Eplerenone
SCHEMBL14085016
(7alpha,17alpha)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylic Acid gamma-Lactone 7-Methyl Ester
Eplerenone impurity C [EP]
CS-0158286
(7alpha,17alpha)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester
J8799R5TMR
7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGNA-4,9(11)-DIENE-21,17-CARBOLACTONE
AKOS015920137
Pregna-4,9(11)-diene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, 7-methyl ester, (7alpha,17alpha)-
Q-102808
PREGNA-4,9(11)-DIENE-7,21-DICARBOXYLIC ACID, 17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, 7-METHYL ESTER, (7.ALPHA.,17.ALPHA.)-
C24H30O5
7alpha-(Methoxycarbonyl)-3-oxo-17alpha-pregna-4,9(11)-diene-21,17-carbolactone

MDL Number

MFCD11112034

Customs Code

2942000000

FAQ

What are the physical and chemical properties of (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate (CAS: 95716-70-4)?

This compound crystallizes as a white solid with a high melting point. Its molecular weight is approximately 521.5 g/mol. It is slightly soluble in common organic solvents like dichloromethane and acetone. Chemically, it is reactive towards nucleophiles and can undergo ester hydrolysis under acidic conditions. It has a low reactivity towards electrophiles, making it stable in most organic reactions.

How is (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate (CAS: 95716-70-4) typically synthesized?

This compound is typically synthesized via an esterification reaction of a suitable alcohol with a carboxylic acid, followed by ring closure to form the spiro structure. Commonly, this is achieved using a Lewis acid catalyst like aluminum chloride or titanium(IV) isopropoxide. The reaction requires precise control of temperature and solvent to achieve high selectivity and yield.

What industries use (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate (CAS: 95716-70-4)?

This compound is most commonly used in the pharmaceutical industry for its structural complexity, potentially providing unique biological activities. It is also explored in the polymer industry for its potential to form novel materials with specific properties. Additionally, it may be used in the development of sensors and other advanced materials due to its unique molecular architecture.

What precautions should be taken when handling (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate (CAS: 95716-70-4)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area, preferably under a fume hood, to minimize inhalation risks. In case of a spill, immediately contain it with absorbent material and clean up according to the Material Safety Data Sheet (MSDS) guidelines. Always consult the SDS for specific safety information and emergency protocols.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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Compound Q&A

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(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate | CAS No. 95716-70-4

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

Customs Code

FAQ

What are the physical and chemical properties of (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate (CAS: 95716-70-4)?

How is (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate (CAS: 95716-70-4) typically synthesized?

What industries use (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate (CAS: 95716-70-4)?

What precautions should be taken when handling (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate (CAS: 95716-70-4)?

Related Compounds

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