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ChemSpider 2D Image | (3beta,16alpha,21beta,22alpha)-22-Acetoxy-16,24,28-trihydroxy-21-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranosiduronic
 acid - (3beta,5xi,9xi,16alpha,18xi,21beta,22alpha)-22-acetoxy-16,24,28-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D
-glucopyranosiduronic acid (1:1) | C110H172O48

(3β,16α,21β,22α)-22-Acetoxy-16,24,28-trihydroxy-21-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid - (3β,5ξ,9ξ,16α,18ξ,21β,22α)-22-acetoxy-16,24,28-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D -glucopyranosiduronic acid (1:1)

  • Molecular FormulaC110H172O48
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID4945658
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 24 of 27 defined stereocentres


More details:





Date of deprecation: 18:20, Sep 17, 2014
Reason for deprecation: Deprecate record: mixture of compounds - and only supporting datasources are PubChem and Leadscope

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,16α,21β,22α)-22-Acetoxy-16,24,28-trihydroxy-21-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic 
 acid - (3β,5ξ,9ξ,16α,18ξ,21β,22α)-22-acetoxy-16,24,28-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D 
-glucopyranosiduronic acid (1:1) [ACD/IUPAC Name]
(3β,16α,21β,22α)-22-Acetoxy-16,24,28-trihydroxy-21-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronsä 
ure --(3β,5ξ,9ξ,16α,18ξ,21β,22α)-22-acetoxy-16,24,28-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-g 
lucopyranosiduronsäure (1:1) [German] [ACD/IUPAC Name]
11072-93-8 [RN]
B-ESCIN
β-Aescin
β-Aescinu [Czech]
β-Aescusan
β-ESCIN
β-Escin, β-Reparil, β-Aescinu
β-Reparil

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS166751 [DBID]
AIDS-166751 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site