ChemSpider 2D Image | Alisol G | C30H48O4

Alisol G

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID31140487

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9β,11β,14β,23S,24S)-11,23,24-Trihydroxydammara-13(17),25-dien-3-on [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24S)-11,23,24-Trihydroxydammara-13(17),25-dien-3-one [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24S)-11,23,24-Trihydroxydammara-13(17),25-dién-3-one [French] [ACD/IUPAC Name]
155521-46-3 [RN]
Alisol G
Dammara-13(17),25-dien-3-one, 11,23,24-trihydroxy-, (8α,9β,11β,14β,23S,24S)- [ACD/Index Name]
(3aR,3bS,5aR,9aS,9bS,10S)-1-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
(3aR,3bS,5aR,9aS,9bS,10S)-1-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
(5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
25-Anhydroalisol A
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 598.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 329.8±26.6 °C
Index of Refraction: 1.553
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7203.09
ACD/KOC (pH 5.5): 20081.82
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7203.08
ACD/KOC (pH 7.4): 20081.80
Polar Surface Area: 78 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 426.3±5.0 cm3

Click to predict properties on the Chemicalize site


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