ChemSpider 2D Image | (3beta,5alpha,12alpha,22R)-12-Hydroxy-4,4,8-trimethyl-18-oxo-18,20:22,25-diepoxycholest-9(11)-en-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl -(1->2)-beta-D-lyxopyranoside | C54H86O23

(3β,5α,12α,22R)-12-Hydroxy-4,4,8-trimethyl-18-oxo-18,20:22,25-diepoxycholest-9(11)-en-3-yl 3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-deoxy-β-D-glucopyranosyl -(1->2)-β-D-lyxopyranoside

  • Molecular FormulaC54H86O23
  • Average mass1103.247 Da
  • Monoisotopic mass1102.556030 Da
  • ChemSpider ID29216237

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(3β,5α,12α,22R)-12-Hydroxy-4,4,8-trimethyl-18-oxo-18,20:22,25-diepoxycholest-9(11)-en-3-yl 3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-deoxy-β-D-glucopyranosyl ; -(1->2)-β-D-lyxopyranoside [ACD/IUPAC Name]
(3β,5α,12α,22R)-12-Hydroxy-4,4,8-trimethyl-18-oxo-18,20:22,25-diepoxycholest-9(11)-en-3-yl-3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-desoxy-β-D-glucopyranosy ; l-(1->2)-β-D-lyxopyranosid [German] [ACD/IUPAC Name]
3-O-Méthyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-désoxy-β-D-glucopyranosyl-(1->2)-β-D-lyxopyranoside de (3β,5α,12α,22R)-12-hydroxy-4,4,8-triméthyl-18-oxo-18,20:2 ; 2,25-diépoxycholest-9(11)-én-3-yle [French] [ACD/IUPAC Name]
Cholest-9(11)-en-18-one, 18,20:22,25-diepoxy-12-hydroxy-4,4,8-trimethyl-3-[[O-3-O-methyl-β-D-glucopyranosyl-(1->;3)-O-β-D-glucopyranosyl-(1->4)-O-6-deoxy-β-D-glucopyranosyl-(1->2)-β-D-lyxop yranosyl]oxy]-, (3β,5α,12α,22R)- [ACD/Index Name]
holothurinoside C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 267.0±0.4 cm3
#H bond acceptors: 23
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.16
ACD/KOC (pH 5.5): 802.05
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.16
ACD/KOC (pH 7.4): 802.04
Polar Surface Area: 341 Å2
Polarizability: 105.9±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 756.4±5.0 cm3

Click to predict properties on the Chemicalize site


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