ChemSpider 2D Image | (2R,7aS,11R,13S,14aR)-8-hydroxy-6,7,7a,9,13-pentamethoxy-2,11-diphenyl-2,3,12,13-tetrahydro-11H-furo[2,3-f:4,5-i']dichromen-5(7aH)-one | C35H34O10

(2R,7aS,11R,13S,14aR)-8-hydroxy-6,7,7a,9,13-pentamethoxy-2,11-diphenyl-2,3,12,13-tetrahydro-11H-furo[2,3-f:4,5-i']dichromen-5(7aH)-one

  • Molecular FormulaC35H34O10
  • Average mass614.638 Da
  • Monoisotopic mass614.215210 Da
  • ChemSpider ID8275857

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,7aS,11R,13S,14aR)-8-Hydroxy-6,7,7a,9,13-pentamethoxy-2,11-diphenyl-2,3,12,13-tetrahydro-11H-chromeno[8',8a':4,5]furo[2,3-f]chromen-5(7aH)-on [German] [ACD/IUPAC Name]
(2R,7aS,11R,13S,14aR)-8-Hydroxy-6,7,7a,9,13-pentamethoxy-2,11-diphenyl-2,3,12,13-tetrahydro-11H-chromeno[8',8a':4,5]furo[2,3-f]chromen-5(7aH)-one [ACD/IUPAC Name]
(2R,7aS,11R,13S,14aR)-8-Hydroxy-6,7,7a,9,13-pentaméthoxy-2,11-diphényl-2,3,12,13-tétrahydro-11H-chroméno[8',8a':4,5]furo[2,3-f]chromén-5(7aH)-one [French] [ACD/IUPAC Name]
(2R,7aS,11R,13S,14aR)-8-hydroxy-6,7,7a,9,13-pentamethoxy-2,11-diphenyl-2,3,12,13-tetrahydro-11H-furo[2,3-f:4,5-i']dichromen-5(7aH)-one
calycopterone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 245.3±26.4 °C
Index of Refraction: 1.658
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17390.21
ACD/KOC (pH 5.5): 37724.37
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 15647.11
ACD/KOC (pH 7.4): 33943.08
Polar Surface Area: 111 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 438.3±5.0 cm3

Click to predict properties on the Chemicalize site


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