(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid is a complex triterpenoid saponin that features a sugar molecule attached to a triterpenoid framework. (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid is characterized by the presence of multiple hydroxyl and acetyl groups, which contribute to its potential biological activity. It is found in various plants and has been traditionally used in herbal medicine for its potential health benefits.
219944-39-5
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Basic information
- Product Name: (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid
- Synonyms: (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid;Aescin C;Escin IVa;Isoescin Ia;Isoescin IA(Isoaescin IA)
- CAS NO:219944-39-5
- Molecular Formula: C55H86O24
- Molecular Weight: 1131.25694
- EINECS: N/A
- Product Categories: N/A
- Mol File: 219944-39-5.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 1148.1°C at 760 mmHg
- Flash Point: 314.1°C
- Appearance: /
- Density: 1.46
- Vapor Pressure: 0mmHg at 25°C
- Refractive Index: 1.627
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 2.63±0.70(Predicted)
- CAS DataBase Reference: (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid(CAS DataBase Reference)
- NIST Chemistry Reference: (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid(219944-39-5)
- EPA Substance Registry System: (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid(219944-39-5)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 219944-39-5(Hazardous Substances Data)
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219944-39-5 Usage
Uses
Used in Pharmaceutical Industry:(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid is used as a potential therapeutic agent for its anti-inflammatory and immunomodulatory effects. Its ability to modulate the immune system and reduce inflammation makes it a promising candidate for the development of new drugs to treat various inflammatory and immune-related disorders.
Used in Anticancer Applications:
(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid is also being investigated for its potential anticancer properties. It may be used as an anticancer agent, particularly against various types of cancer, due to its ability to modulate cellular signaling pathways and inhibit tumor growth and progression. Further research is needed to fully understand its anticancer mechanisms and optimize its therapeutic potential.
Used in Traditional and Herbal Medicine:
(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid has been used in traditional and herbal medicine for its potential health benefits. Its presence in various plants and its biological activities make it a valuable component in the development of natural remedies and supplements for promoting overall health and well-being.
Further research is essential to fully understand the pharmacological properties and potential therapeutic applications of this complex triterpenoid saponin, as well as to explore its synergistic effects when combined with other compounds or treatments.
Check Digit Verification of cas no
The CAS Registry Mumber 219944-39-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,9,9,4 and 4 respectively; the second part has 2 digits, 3 and 9 respectively.Calculate Digit Verification of CAS Registry Number 219944-39:
(8*2)+(7*1)+(6*9)+(5*9)+(4*4)+(3*4)+(2*3)+(1*9)=165
165 % 10 = 5
So 219944-39-5 is a valid CAS Registry Number.
InChI:InChI=1/C55H86O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)60)75-49-41(77-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(78-49)45(69)70)76-47-37(65)35(63)33(61)27(19-56)73-47/h10-11,26-44,47-49,56-58,60-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
219944-39-5Upstream product
219944-39-5Downstream Products
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(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid
