ChemSpider 2D Image | (3beta,6alpha,12beta,24R)-20,24-Epoxydammarane-3,6,12,25-tetrol | C30H52O5

(3β,6α,12β,24R)-20,24-Epoxydammarane-3,6,12,25-tetrol

  • Molecular FormulaC30H52O5
  • Average mass492.731 Da
  • Monoisotopic mass492.381470 Da
  • ChemSpider ID30656597

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,6α,12β,24R)-20,24-Epoxydammaran-3,6,12,25-tetrol [German] [ACD/IUPAC Name]
(3β,6α,12β,24R)-20,24-Epoxydammarane-3,6,12,25-tetrol [ACD/IUPAC Name]
(3β,6α,12β,24R)-20,24-Époxydammarane-3,6,12,25-tétrol [French] [ACD/IUPAC Name]
Dammarane-3,6,12,25-tetrol, 20,24-epoxy-, (3β,6α,12β,24R)- [ACD/Index Name]
(20S)-Protopanaxatriol oxide I
(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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
20(S),24(R)-epoxydammarane-3??,6??,12??,25-tetrol
20(S),24(R)-Ocotillol
69926-31-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 909.90
ACD/KOC (pH 5.5): 4567.17
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 909.90
ACD/KOC (pH 7.4): 4567.17
Polar Surface Area: 90 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 437.3±3.0 cm3

Click to predict properties on the Chemicalize site


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