ChemSpider 2D Image | sanggenon D | C40H36O12

sanggenon D

  • Molecular FormulaC40H36O12
  • Average mass708.707 Da
  • Monoisotopic mass708.220703 Da
  • ChemSpider ID390897

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

11H-Benzofuro[3,2-b][1]benzopyran-11-one, 2-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-5a,10a-dihydro-1,3,8,10a-tetrahydroxy-5a-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
2-[(1R,5S,6R)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methyl-2-buten-1-yl)-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-on [German] [ACD/IUPAC Name]
2-[(1R,5S,6R)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methyl-2-buten-1-yl)-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one [ACD/IUPAC Name]
2-[(1R,5S,6R)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphényl)-3-méthyl-2-cyclohexén-1-yl]-1,3,8,10a-tétrahydroxy-5a-(3-méthyl-2-butén-1-yl)-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromén-11-one [French] [ACD/IUPAC Name]
sanggenon D
2-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-en-1-yl)-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one
5-[(1R,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)carbonyl]-3-methylcyclohex-2-en-1-yl]-1,4,6,14-tetrahydroxy-10-(3-methylbut-2-en-1-yl)-9,17-dioxatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaen-2-one
81422-93-7 [RN]
AC1L9CVE
CID 442459
More...

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

C09835 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 995.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.1±3.0 kJ/mol
Flash Point: 311.5±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 186.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 112107.81
ACD/KOC (pH 5.5): 138550.23
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 5298.29
ACD/KOC (pH 7.4): 6547.98
Polar Surface Area: 214 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 468.6±3.0 cm3

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