CAS 26339-90-2: Escin Ib
Description:Escin Ib, with the CAS number 26339-90-2, is a triterpenoid saponin derived from the seeds of the horse chestnut tree (Aesculus hippocastanum). It is known for its potential therapeutic properties, particularly in the treatment of venous insufficiency and related conditions. Escin Ib exhibits anti-inflammatory and antioxidant activities, which contribute to its efficacy in promoting vascular health. The compound is characterized by its ability to enhance capillary permeability and reduce edema, making it beneficial in managing swelling and discomfort associated with various circulatory disorders. Additionally, escin compounds, including Escin Ib, are often studied for their role in improving microcirculation and providing protective effects against oxidative stress. While it is primarily recognized for its medicinal applications, further research continues to explore its full range of biological activities and potential uses in pharmacology. As with many natural compounds, the specific effects and mechanisms of action may vary, necessitating careful consideration in clinical applications.
Formula:C55H86O24
InChI:InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)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)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,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
InChI key:InChIKey=AXNVHPCVMSNXNP-OXPBSUTMSA-N
SMILES:O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)C(OC(=O)C(=CC)C)C(OC(=O)C)C6(CO)C(O)CC5(C)C4(C)CCC3C2(C)CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C1OC8OC(CO)C(O)C(O)C8O
- Synonyms:
- (3β,16α,21β,22α)-22-(acetyloxy)-16,24,28-trihydroxy-21-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid
- (3β,4β,16α,21β,22α)-22-(Acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</smallcap>-glucopyranosyl-(1→4)]-β-<smallcap>D</span>-glucopyranosiduronic acid
- Aescin B
- Olean-12-ene-16α,21β,22α,24,28-pentol, 3β-[(O-β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</smallcap>-glucopyranosyl-(1→4)]-β-<smallcap>D</span>-glucopyranuronosyl)oxy]-, 22-acetate 21-((Z)-2-methylcrotonate)
- Oleanane, β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid deriv.
- beta-D-Glucopyranosiduronic acid, (3beta,16alpha,21beta(Z),22alpha)-22-(acetyloxy)-16,24,28-trihydroxy-21-((2-methyl-1-oxo-2-butenyl)oxy)olean-12-en-3-yl O-beta-D-glucopyranosyl-(1.2)-O-(beta-D-glucopyranosyl-(1.4))-
- escin Ib
- β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</span>-glucopyranosyl-(1→4)]-
- β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</span>-glucopyranosyl-(1→4)]-
- β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, [3β,4β,16α,21β(Z),22α]-22-(acetyloxy)-16,23,28-trihydroxy-21-[(2-methyl-1-oxo-2-butenyl)oxy]olean-12-en-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</span>-glucopyranosyl-(1→4)]-
- See more synonyms
- Oleanane, β-D-glucopyranosiduronic acid deriv.
- β-D-Glucopyranosiduronic acid, [3β,4β,16α,21β(Z),22α]-22-(acetyloxy)-16,23,28-trihydroxy-21-[(2-methyl-1-oxo-2-butenyl)oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-
- β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-
- Olean-12-ene-16α,21β,22α,24,28-pentol, 3β-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranuronosyl)oxy]-, 22-acetate 21-((Z)-2-methylcrotonate)
- β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-
