ChemSpider 2D Image | (3beta,6alpha,12beta,20E)-Dammar-20(22)-ene-3,6,12,25-tetrol | C30H52O4

(3β,6α,12β,20E)-Dammar-20(22)-ene-3,6,12,25-tetrol

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID62887459

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,6α,12β,20E)-Dammar-20(22)-en-3,6,12,25-tetrol [German] [ACD/IUPAC Name]
(3β,6α,12β,20E)-Dammar-20(22)-ene-3,6,12,25-tetrol [ACD/IUPAC Name]
(3β,6α,12β,20E)-Dammar-20(22)-ène-3,6,12,25-tétrol [French] [ACD/IUPAC Name]
97744-95-1 [RN]
Dammar-20(22)-ene-3,6,12,25-tetrol, (3β,6α,12β,20E)- [ACD/Index Name]
(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(E)-6-hydroxy-6-methylhept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
3??,6??,12??-Dammar-E-20(22)-ene-3,6,12,25-tetraol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 589.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 240.1±24.7 °C
Index of Refraction: 1.540
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4983.94
ACD/KOC (pH 5.5): 15428.21
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4983.94
ACD/KOC (pH 7.4): 15428.21
Polar Surface Area: 81 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 442.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement