ChemSpider 2D Image | (9R,10S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) | C34H38O11

(9R,10S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate)

  • Molecular FormulaC34H38O11
  • Average mass622.659 Da
  • Monoisotopic mass622.241394 Da
  • ChemSpider ID400916
  • defined stereocentres - 2 of 6 defined stereocentres


More details:






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

(9R,10S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9,10-diyl-bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat) [German] [ACD/IUPAC Name]
(9R,10S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (9R,10S)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9,10-diyl ester [ACD/Index Name]
Bis(4,7,7-triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) de (9R,10S)-8,8-diméthyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromène-9,10-diyle [French] [ACD/IUPAC Name]
3',4'-Di-O-(-)-Camphanoyl-(+)-trans-khellactone
4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylic acid (9R,10S)-8,8-dimethyl-2-oxo-9-[2-(4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]hept-1-yl)-acetoxy]-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl ester

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

AIDS005883 [DBID]
AIDS-005883 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 297.1±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.76
ACD/KOC (pH 5.5): 925.03
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.76
ACD/KOC (pH 7.4): 925.03
Polar Surface Area: 141 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 448.4±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form