(2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid | CAS No. 98665-20-4

(2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid

Basic Information

CAS Number

98665-20-4

Molecular Formula

C30H44O8

Molecular Weight

532.67 g/mol

AD

Basic Physical Properties

Physical State

Powder

Density

1.27±0.1 g/cm3 (20 ºC 760 Torr),

CC(CC(=O)CC(C)(C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C)O)C(=O)O

InChI

InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37)

InChIKey

ZWMMEKXOLCCKLA-UHFFFAOYSA-N

LogP

3.2464000000000013

Topological Polar Surface Area

149.2 Ų

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

1120

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • (20ξ)-3β,7β,20-Trihydroxy-11,15,23-trioxo-5α-lanost-8-en-26-oic acid
  • (3beta,7beta,20xi)-3,7,20-trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid
  • lanost-8-<wbr>
  • LogP
  • Ganoderic acid I
  • 6-[(3S,5R,7S,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-
  • (3β,7β,20ξ)-3,7,20-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid
  • CS-0023660
  • (3I(2),7I(2),25R)-3,7,20-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid
  • HY-N2999
  • AKOS040760412
  • DTXSID301160525
  • DA-63690
  • MS-29850
  • 98665-20-4
  • GanodericacidI

FAQ

What are the physical and chemical properties of (2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid (CAS: 98665-20-4)?

The compound has a crystalline form and a molecular weight of approximately 856.9 g/mol. It is slightly soluble in water and organic solvents. Chemically, it is stable under normal conditions but can react with strong bases. It is not flammable and has a pKa of about 3.2.

How is (2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid (CAS: 98665-20-4) typically synthesized?

This compound is typically synthesized via a multi-step process involving the condensation of a cyclopentaphenanthrene derivative with a 6-hydroxy-2-methyl-4-oxoheptanoic acid. The reaction is catalyzed by a palladium complex, achieving a high yield and selectivity.

What industries use (2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid (CAS: 98665-20-4)?

This compound is primarily used in the pharmaceutical industry for its potential as an anti-inflammatory and anti-tumor agent. It may also have applications in polymer science for developing new materials with specific properties.

What precautions should be taken when handling (2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid (CAS: 98665-20-4)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up using appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS) and follow all local regulations.

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