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Notoginsenoside R1

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Identification
Molecular formula
C47H80O18
CAS number
80418-54-2
IUPAC name
3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
State
State

At room temperature, Notoginsenoside R1 is a solid compound.

Melting point (Celsius)
223.00
Melting point (Kelvin)
496.15
Boiling point (Celsius)
182.00
Boiling point (Kelvin)
455.15
General information
Molecular weight
932.14g/mol
Molar mass
932.1400g/mol
Density
1.3500g/cm3
Appearence

Notoginsenoside R1 is a glycoside that typically appears as a white to off-white crystalline powder.

Comment on solubility

Solubility Characteristics

The compound 3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one exhibits unique solubility properties that can be influenced by its complex structure.

Key Aspects of Solubility:

  • Polarity: The presence of multiple hydroxyl (-OH) groups in the molecule enhances its polarity, which generally increases solubility in polar solvents such as water.
  • Hydrogen Bonding: The hydroxyl groups facilitate hydrogen bonding, making the compound more soluble in alcohols and other protic solvents.
  • Hydrophobic Regions: Its large hydrophobic cyclopenta[a]phenanthrene structure may limit solubility in non-polar solvents; thus, it may have lower solubility in hexane or other similar hydrocarbons.
  • Temperature Influence: Solubility can be temperature-dependent; increased temperatures may enhance the solubility of this compound in various solvents.

In summary, while this compound has the potential for good solubility in polar solvents due to its polar functional groups, careful consideration must be given to its hydrophobic characteristics, which may pose challenges in a non-polar environment. As with many complex organic compounds, conducting empirical solubility tests in various solvents and temperatures is essential to fully understand its solubility profile.

Interesting facts

Interesting Facts about 3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

This fascinating compound belongs to a class of organic molecules known for their diverse applications in medicinal chemistry and natural product synthesis. Here are some highlights that showcase the unique properties and significance of this compound:

  • Complex Structure: The intricate molecular structure comprises several stereocenters, lending the compound a high degree of stereochemical diversity, which is crucial in drug design.
  • Bioactivity: Compounds with similar frameworks often exhibit significant biological activities, such as anti-inflammatory, anti-cancer, and antimicrobial effects, making them valuable in pharmaceutical research.
  • Natural Occurrence: Many compounds in this category are derived from natural sources, hinting at evolutionary significance and common pathways in biosynthesis.
  • Research Interest: The presence of multiple hydroxyl groups enhances interaction with biological targets, leading to increased interest in their derivatives for potential therapeutic applications.
  • Analytical Techniques: Understanding the properties of this compound often involves advanced spectroscopy techniques such as NMR and mass spectrometry, allowing scientists to elucidate its detailed structure and functional groups.

In summary, the exploration of this compound not only sheds light on its structural intricacies but also opens avenues for new discoveries in the field of medicinal chemistry. As one delves deeper into its characteristics, the potential applications in human health and industry become increasingly apparent.

Synonyms
546-03-2
Pachygenol
BRN 0053910
CARDA-5,20(22)-DIENOLIDE, 3-beta,14,19-TRIHYDROXY-
4-18-00-02541 (Beilstein Handbook Reference)
DTXSID70969852
3,14,19-Trihydroxycarda-5,20(22)-dienolide