ChemSpider 2D Image | (1alpha,2alpha,3alpha,5beta,8alpha,9beta,10alpha,14beta)-1,2,3-Trihydroxy-14-methyl-13-vinylpodocarp-12-en-11-one | C20H30O4

(1α,2α,3α,5β,8α,9β,10α,14β)-1,2,3-Trihydroxy-14-methyl-13-vinylpodocarp-12-en-11-one

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID64808263

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1α,2α,3α,5β,8α,9β,10α,14β)-1,2,3-Trihydroxy-14-methyl-13-vinylpodocarp-12-en-11-on [German] [ACD/IUPAC Name]
(1α,2α,3α,5β,8α,9β,10α,14β)-1,2,3-Trihydroxy-14-methyl-13-vinylpodocarp-12-en-11-one [ACD/IUPAC Name]
(1α,2α,3α,5β,8α,9β,10α,14β)-1,2,3-Trihydroxy-14-méthyl-13-vinylpodocarp-12-én-11-one [French] [ACD/IUPAC Name]
4(1H)-Phenanthrenone, 2-ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-, (1S,4aR,4bR,5R,6S,7S,8aR,10aR)- [ACD/Index Name]
(+)-phytocassane B
(1S,4aR,4bR,5R,6S,7S,8aR,10aR)-2-ethenyl-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one
(1S,4aR,4bR,5R,6S,7S,8aR,10aR)-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-2-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one
1α,2α,3α-trihydroxy-14β-methyl-13-vinyl-5β,8α,9β,10α,14β-podocarp-12-en-11-one
phytocassane B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 464.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 248.9±25.2 °C
Index of Refraction: 1.583
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.42
ACD/KOC (pH 5.5): 608.20
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.42
ACD/KOC (pH 7.4): 608.20
Polar Surface Area: 78 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 283.2±3.0 cm3

Click to predict properties on the Chemicalize site


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