ChemSpider 2D Image | (5xi,8alpha,9beta,11beta,14beta,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3-one | C30H50O5

(5ξ,8α,9β,11β,14β,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3-one

  • Molecular FormulaC30H50O5
  • Average mass490.715 Da
  • Monoisotopic mass490.365814 Da
  • ChemSpider ID28537375

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3aR,3bS,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
(3aR,3bS,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
(5ξ,8α,9β,11β,14β,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3-on [German] [ACD/IUPAC Name]
(5ξ,8α,9β,11β,14β,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3-one [ACD/IUPAC Name]
(5ξ,8α,9β,11β,14β,23S,24R)-11,23,24,25-Tétrahydroxydammar-13(17)-én-3-one [French] [ACD/IUPAC Name]
19885-10-0 [RN]
Dammar-13(17)-en-3-one, 11,23,24,25-tetrahydroxy-, (5ξ,8α,9β,11β,14β,23S,24R)- [ACD/Index Name]
(8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Alisol A
MFCD09953906 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 348.4±28.0 °C
Index of Refraction: 1.559
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1618.68
ACD/KOC (pH 5.5): 6897.88
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1618.68
ACD/KOC (pH 7.4): 6897.88
Polar Surface Area: 98 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 428.9±5.0 cm3

Click to predict properties on the Chemicalize site


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