ChemSpider 2D Image | (2R,12aR)-6a-Hydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one | C23H22O7

(2R,12aR)-6a-Hydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one

  • Molecular FormulaC23H22O7
  • Average mass410.417 Da
  • Monoisotopic mass410.136566 Da
  • ChemSpider ID58817329

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,12aR)-6a-Hydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-on [German] [ACD/IUPAC Name]
(2R,12aR)-6a-Hydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one [ACD/IUPAC Name]
(2R,12aR)-6a-Hydroxy-2-isopropényl-8,9-diméthoxy-1,2,12,12a-tétrahydrochroméno[3,4-b]furo[2,3-h]chromén-6(6aH)-one [French] [ACD/IUPAC Name]
Furo[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,12aR)- [ACD/Index Name]
509-96-6 [RN]
ROTENOLONE; (1)-BENZOPYRANO[3,4-B]FURO[2,3-H](1)BENZOPYRAN-6(6AH)-ONE,1,2,12,12A-A-TETRAHYDRO-6A-A-HYDROXY-2-A-ISOALLYL-8,9-DIMETHOXY-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 219.2±25.0 °C
Index of Refraction: 1.622
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 431.60
ACD/KOC (pH 5.5): 2677.88
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 431.24
ACD/KOC (pH 7.4): 2675.70
Polar Surface Area: 83 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 302.0±3.0 cm3

Click to predict properties on the Chemicalize site


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