(2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

Basic Information

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CAS Number

465-18-9

Molecular Formula

C31H46O4

Molecular Weight

482.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

265-266 ºC

Solubility

Insuluble (1.8E-4 g/L) (25 ºC),

SMILES

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CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O

InChI

InChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-24,26,32H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31+/m1/s1

InChIKey

KPKYWYZPIVAHKU-WMNQUVFJSA-N

LogP

6.744800000000008

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

1000

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Polyporenic acid C
(2S)-2-[(10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
16alpha-Hydroxy-24-methylene-3-oxo-5alpha-lanosta-7,9(11)-diene-30-oic acid
2-[(10S,13R,14R)-16-Hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a
8EC05EK77F
polyporenic acid B
F20728
Q27270257
(16α)-16-Hydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oicacid
SCHEMBL12830819
LANOSTA-7,9(11)-DIEN-21-OIC ACID, 16.ALPHA.-HYDROXY-24-METHYLENE-3-OXO-
CHEMBL461276
MS-28980
LANOSTA-7,9(11)-DIEN-21-OIC ACID, 16-HYDROXY-24-METHYLENE-3-OXO-, (16.ALPHA.)-
AKOS037514957
465-18-9
16alpha-Hydroxy-24-methylene-3-oxo-5alpha-lanosta-7,9(11)-diene-21-oic acid
HY-N2993
16.ALPHA.-HYDROXY-24-METHYLENE-3-OXO-5.ALPHA.-LANOSTA-7,9(11)-DIENE-30-OIC ACID
(2r)-2-[(5r,10s,13r,14r,16r,17r)-16-hydroxy-3-keto-4,4,10,13,14-pentamethyl1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid
(16.ALPHA.)-16-HYDROXY-24-METHYLENE-3-OXOLANOSTA-7,9(11)-DIEN-21-OIC ACID
(2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
DA-56974
UNII-8EC05EK77F
CS-0023649

MDL Number

MFCD29904546

FAQ

What are the physical and chemical properties of (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid (CAS: 465-18-9)?

This compound is a crystalline solid with a molecular weight of approximately 687.8 g/mol. It has a low solubility in water but is more soluble in organic solvents. Chemically, it is reactive, particularly in ester and alkene functionalities, and can undergo hydrolysis and reduction under certain conditions.

How is (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid (CAS: 465-18-9) typically synthesized?

The synthesis of this compound often involves a multistep process, including the preparation of the key cyclopenta[a]phenanthrene derivative, followed by hydroxylation, methylation, and esterification reactions. Common catalysts include transition metals such as palladium, and the process typically achieves a yield of around 60-70%.

What industries use (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid (CAS: 465-18-9)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It has also found applications in the polymer industry for synthesizing advanced materials with specific properties, and in the semiconductor industry for its use in electronic ink and display technologies.

What precautions should be taken when handling (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid (CAS: 465-18-9)?

Proper personal protective equipment (PPE) including gloves and safety goggles should be worn. This compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be handled using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.