ChemSpider 2D Image | (3R,3aR,5bR,8S,9aR,10R)-8,9a-Dihydroxy-3a,5b-dimethyl-3-(6-methyl-2-heptanyl)hexadecahydrocyclopenta[a]fluorene-10-carbaldehyde | C27H46O3

(3R,3aR,5bR,8S,9aR,10R)-8,9a-Dihydroxy-3a,5b-dimethyl-3-(6-methyl-2-heptanyl)hexadecahydrocyclopenta[a]fluorene-10-carbaldehyde

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID24823262

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(3R,3aR,5bR,8S,9aR,10R)-8,9a-Dihydroxy-3a,5b-dimethyl-3-(6-methyl-2-heptanyl)hexadecahydrocyclopenta[a]fluoren-10-carbaldehyd [German] [ACD/IUPAC Name]
(3R,3aR,5bR,8S,9aR,10R)-8,9a-Dihydroxy-3a,5b-dimethyl-3-(6-methyl-2-heptanyl)hexadecahydrocyclopenta[a]fluorene-10-carbaldehyde [ACD/IUPAC Name]
(3R,3aR,5bR,8S,9aR,10R)-8,9a-Dihydroxy-3a,5b-diméthyl-3-(6-méthyl-2-heptanyl)hexadécahydrocyclopenta[a]fluorène-10-carbaldéhyde [French] [ACD/IUPAC Name]
Cyclopenta[a]fluorene-10-carboxaldehyde, 3-(1,5-dimethylhexyl)hexadecahydro-8,9a-dihydroxy-3a,5b-dimethyl-, (3R,3aR,5bR,8S,9aR,10R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 520.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 282.6±25.2 °C
Index of Refraction: 1.553
Molar Refractivity: 123.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 39075.34
ACD/KOC (pH 5.5): 67370.13
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 39075.34
ACD/KOC (pH 7.4): 67370.13
Polar Surface Area: 58 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 386.7±3.0 cm3

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