Deprecated ChemSpider Record

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ChemSpider 2D Image | 2,2',2''-Tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':8',4''-terchromene-3,3',3'',5',7,7',7''-heptol | C45H38O16

2,2',2''-Tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':8',4''-terchromene-3,3',3'',5',7,7',7''-heptol

  • Molecular FormulaC45H38O16
  • Average mass834.774 Da
  • Monoisotopic mass834.216003 Da
  • ChemSpider ID4265737

More details:

Date of deprecation: 15:17, Aug 12, 2015
Reason for deprecation: Deprecate record: no defined stereochemistry

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

[4,6':8',4''-Ter-2H-1-benzopyran]-3,3',3'',5',7,7',7''-heptol, 2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro- [ACD/Index Name]
2,2',2''-Tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':8',4''-terchromen-3,3',3'',5',7,7',7''-heptol [German] [ACD/IUPAC Name]
2,2',2''-Tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':8',4''-terchromene-3,3',3'',5',7,7',7''-heptol [ACD/IUPAC Name]
2,2',2''-Tris(3,4-dihydroxyphényl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':8',4''-terchromène-3,3',3'',5',7,7',7''-heptol [French] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Epifisetinidol(4b->8)epicatechin(6->4b)epifisetinidol
Epifisetinidol-(4β->8)-epicatechin-(6->4β)-epifisetinidol

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.800
Molar Refractivity: 213.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.28
ACD/KOC (pH 5.5): 445.67
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.49
ACD/KOC (pH 7.4): 435.72
Polar Surface Area: 291 Å2
Polarizability: 84.6±0.5 10-24cm3
Surface Tension: 99.6±3.0 dyne/cm
Molar Volume: 499.2±3.0 cm3

Click to predict properties on the Chemicalize site


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