ChemSpider 2D Image | (3R,6aS,11aS)-3,4a,7a-Trihydroxy-10a-methyl-9-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-11bH-cyclopenta[b]phenanthrene-11b-carbaldehyde | C23H32O6

(3R,6aS,11aS)-3,4a,7a-Trihydroxy-10a-methyl-9-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-11bH-cyclopenta[b]phenanthrene-11b-carbaldehyde

  • Molecular FormulaC23H32O6
  • Average mass404.497 Da
  • Monoisotopic mass404.219879 Da
  • ChemSpider ID27444562

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(3R,6aS,11aS)-3,4a,7a-Trihydroxy-10a-methyl-9-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-11bH-cyclopenta[b]phenanthren-11b-carbaldehyd [German] [ACD/IUPAC Name]
(3R,6aS,11aS)-3,4a,7a-Trihydroxy-10a-methyl-9-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-11bH-cyclopenta[b]phenanthrene-11b-carbaldehyde [ACD/IUPAC Name]
(3R,6aS,11aS)-3,4a,7a-Trihydroxy-10a-méthyl-9-(5-oxo-2,5-dihydro-3-furanyl)hexadécahydro-11bH-cyclopenta[b]phénanthrène-11b-carbaldéhyde [French] [ACD/IUPAC Name]
11bH-Cyclopenta[b]phenanthrene-11b-carboxaldehyde, 9-(2,5-dihydro-5-oxo-3-furanyl)hexadecahydro-3,4a,7a-trihydroxy-10a-methyl-, (3R,6aS,11aS)- [ACD/Index Name]
(3R,6aS,11aS)-3,4a,7a-trihydroxy-10a-methyl-9-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-11bH-cyclopenta[b]phenanthrene-11b-carbaldehyde
11bH-cyclopenta[b]phenanthrene-11b-carboxaldehyde, 9-(2,5-dihydro-5-oxo-3-furanyl)hexadecahydro-3,4a,7a-trihydroxy-10a-methyl-, (3R,6aS,11aS)
MFCD15732058 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 214.9±25.0 °C
Index of Refraction: 1.675
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 81.38
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.28
ACD/KOC (pH 7.4): 81.38
Polar Surface Area: 104 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 82.2±3.0 dyne/cm
Molar Volume: 282.4±3.0 cm3

Click to predict properties on the Chemicalize site


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