Deprecated ChemSpider Record

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ChemSpider 2D Image | 6,7,8,11,12,13-Hexahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0~4,9~.0~10,15~]tricosa-4,6,8,10,12,14-hexaene-21,22,23-triyl tris(3,4,5-trihydroxybenzoate) | C41H30O26

6,7,8,11,12,13-Hexahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene-21,22,23-triyl tris(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC41H30O26
  • Average mass938.661 Da
  • Monoisotopic mass938.102539 Da
  • ChemSpider ID417252

More details:

Date of deprecation: 11:12, Oct 21, 2015
Reason for deprecation: Deprecate record: 5 undefined stereocentres

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

1,2,3,16,17,18-hexahydroxy-5,14-dioxo-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecine-10,11,19-triyl tris(3,4,5-trihydroxybenzoate)
6,7,8,11,12,13-Hexahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21,22,23-triyl-tris(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
6,7,8,11,12,13-Hexahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene-21,22,23-triyl tris(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 5,7,8,11,12,14-hexahydro-1,2,3,16,17,18-hexahydroxy-5,14-dioxo-8,12-methano-10H-dibenzo[j,l][1,4,8]trioxacyclotetradecin-10,11,19-triyl ester [ACD/Index Name]
Tris(3,4,5-trihydroxybenzoate) de 6,7,8,11,12,13-hexahydroxy-3,16-dioxo-2,17,20-trioxatétracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaène-21,22,23-triyle [French] [ACD/IUPAC Name]
1(β)-O-Galloylpedunculagin
6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22,23-tri(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4(9),5,7,10(15),11,13-hexaene
6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22,23-tri(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene
79786-00-8 [RN]
a-Glucosidase inhibitor CB-3
More...

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

AIDS085648 [DBID]
AIDS-085648 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1503.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 240.1±3.0 kJ/mol
Flash Point: 450.8±27.8 °C
Index of Refraction: 1.913
Molar Refractivity: 206.3±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1061.94
ACD/KOC (pH 5.5): 5082.15
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 483.34
ACD/KOC (pH 7.4): 2313.12
Polar Surface Area: 444 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 196.5±5.0 dyne/cm
Molar Volume: 438.9±5.0 cm3

Click to predict properties on the Chemicalize site


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