ChemSpider 2D Image | chrodrimanin R | C27H34O8

chrodrimanin R

  • Molecular FormulaC27H34O8
  • Average mass486.554 Da
  • Monoisotopic mass486.225372 Da
  • ChemSpider ID62429269

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,7aR,8S,9aR,11S,13aS,13bS)-5,8,11-Trihydroxy-2,7a,10,10,13a-pentamethyl-4-oxo-1,7a,8,9,9a,10,11,13a,13b,14-decahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthen-1-yl acetate [ACD/IUPAC Name]
(1R,2R,7aR,8S,9aR,11S,13aS,13bS)-5,8,11-Trihydroxy-2,7a,10,10,13a-pentamethyl-4-oxo-1,7a,8,9,9a,10,11,13a,13b,14-decahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthen-1-yl-acetat [German] [ACD/IUPAC Name]
2H,4H-Benzo[a]pyrano[3,4-j]xanthen-4-one, 1-(acetyloxy)-1,7a,8,9,9a,10,11,13a,13b,14-decahydro-5,8,11-trihydroxy-2,7a,10,10,13a-pentamethyl-, (1R,2R,7aR,8S,9aR,11S,13aS,13bS)- [ACD/Index Name]
Acétate de (1R,2R,7aR,8S,9aR,11S,13aS,13bS)-5,8,11-trihydroxy-2,7a,10,10,13a-pentaméthyl-4-oxo-1,7a,8,9,9a,10,11,13a,13b,14-décahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthén-1-yle [French] [ACD/IUPAC Name]
chrodrimanin R

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 218.8±25.0 °C
Index of Refraction: 1.621
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 612.21
ACD/KOC (pH 5.5): 3439.14
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 605.66
ACD/KOC (pH 7.4): 3402.32
Polar Surface Area: 123 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 357.5±5.0 cm3

Click to predict properties on the Chemicalize site


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