ChemSpider 2D Image | (3alpha,5beta,9beta,10alpha,12alpha,13alpha)-3,12-Dihydroxypimara-8(14),15-dien-2-one | C20H30O3

(3α,5β,9β,10α,12α,13α)-3,12-Dihydroxypimara-8(14),15-dien-2-one

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID23314639

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,4aS,4bR,6S,7R,10aS)-7-Ethenyl-1,4,4a,4b,5,6,7,9,10,10a-decahydro-2,6-dihydroxy-1,1,4a,7-tetramethyl-3(2H)-phenanthrenone
(3α,5β,9β,10α,12α,13α)-3,12-Dihydroxypimara-8(14),15-dien-2-on [German] [ACD/IUPAC Name]
(3α,5β,9β,10α,12α,13α)-3,12-Dihydroxypimara-8(14),15-dien-2-one [ACD/IUPAC Name]
(3α,5β,9β,10α,12α,13α)-3,12-Dihydroxypimara-8(14),15-dién-2-one [French] [ACD/IUPAC Name]
119642-82-9 [RN]
3(2H)-Phenanthrenone, 7-ethenyl-1,4,4a,4b,5,6,7,9,10,10a-decahydro-2,6-dihydroxy-1,1,4a,7-tetramethyl-, (2S,4aS,4bR,6S,7R,10aS)- [ACD/Index Name]
yucalexin P-17

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

Density: 1.1±0.1 g/cm3
Boiling Point: 430.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±6.0 kJ/mol
Flash Point: 228.4±25.2 °C
Index of Refraction: 1.552
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 330.13
ACD/KOC (pH 5.5): 2210.43
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 330.13
ACD/KOC (pH 7.4): 2210.43
Polar Surface Area: 58 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 285.0±5.0 cm3

Click to predict properties on the Chemicalize site


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