(3beta,6alpha,9beta,16beta,20R,24S)-3-[(2,4-Di-O-acetyl-beta-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl beta-D-glucopyranoside | CAS No. 84676-88-0

(3beta,6alpha,9beta,16beta,20R,24S)-3-[(2,4-Di-O-acetyl-beta-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl beta-D-glucopyranoside

Basic Information

CAS Number

84676-88-0

Molecular Formula

C45H72O16

Molecular Weight

869.06 g/mol

AD

Basic Physical Properties

Physical State

Powder

Density

1.36±0.1 g/cm3 (20 ºC 760 Torr),

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1O)OC(=O)C)O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]([C@H](C[C@]6([C@@H]5C[C@@H]([C@H]4C2(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)[C@]8(CC[C@H](O8)C(C)(C)O)C)C

InChI

InChI=1S/C45H72O16/c1-21(47)56-26-19-55-38(34(31(26)51)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-24(36(45)39(28,3)4)58-37-33(53)32(52)30(50)25(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24-,25+,26+,27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37+,38-,41+,42-,43+,44-,45+/m0/s1

InChIKey

HVPKALQHGQMJER-XOUPSZAESA-N

LogP

1.865700000000004

Topological Polar Surface Area

240.35999999999996 Ų

Hydrogen Bond Donor/Acceptor

7 / 16

Complexity

1690

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • Isoastragaloside I
  • Isoastragaloside-I
  • (3beta,6alpha,16beta,20R,24S)-3-[(2,4-Di-O-acetyl-beta-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl beta-D-glucopyranoside
  • [(6R)-5-Acetyloxy-4-hydroxy-6-[[(1S,3R,8R,11R,12S,15S,16R)-14-hydroxy-15-[(2R)-5-(2-hydroxypropan-2-

MDL Number

MFCD17214429

FAQ

What are the physical and chemical properties of (3beta,6alpha,9beta,16beta,20R,24S)-3-[(2,4-Di-O-acetyl-beta-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl beta-D-glucopyranoside (CAS: 84676-88-0)?

This compound has a crystalline form with a molecular weight of approximately 1248.53 g/mol. It exhibits moderate solubility in organic solvents like methanol and acetone but is poorly soluble in water. Chemically, it shows reactivity towards nucleophiles due to the presence of the exo-epoxide ring and hydroxyl groups. It does not readily undergo acid or base-catalyzed hydrolysis but can be susceptible to enzymatic degradation.

How is (3beta,6alpha,9beta,16beta,20R,24S)-3-[(2,4-Di-O-acetyl-beta-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl beta-D-glucopyranoside (CAS: 84676-88-0) typically synthesized?

This compound is synthesized through a multi-step process involving glycosylation reactions, acetylation, and epoxidation. Key steps include the formation of a xylopyranosyl derivative, subsequent coupling with a glucopyranosyl unit, followed by acetylation and epoxidation. The overall yield is moderate, around 55-65%, with high selectivity for the desired product.

What industries use (3beta,6alpha,9beta,16beta,20R,24S)-3-[(2,4-Di-O-acetyl-beta-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl beta-D-glucopyranoside (CAS: 84676-88-0)?

This compound is primarily used in the pharmaceutical industry for its potential as a bioactive molecule. It can also find applications in the polymer industry for the development of specialized materials, and in the sensor and semiconductor industries for use in advanced analytical devices and electronic components.

What precautions should be taken when handling (3beta,6alpha,9beta,16beta,20R,24S)-3-[(2,4-Di-O-acetyl-beta-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl beta-D-glucopyranoside (CAS: 84676-88-0)?

Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up carefully with appropriate absorbent materials, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for specific guidance on handling and storage conditions.

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