ChemSpider 2D Image | Methyl (3beta,5alpha,7beta)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate | C28H42O6

Methyl (3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate

  • Molecular FormulaC28H42O6
  • Average mass474.629 Da
  • Monoisotopic mass474.298126 Da
  • ChemSpider ID28288056

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
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(3β,5α,7β)-3,7-Dihydroxy-4,4,14-triméthyl-11,15-dioxochol-8-én-24-oate de méthyle [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxo-, methyl ester, (3β,5α,7β)- [ACD/Index Name]
Methyl (3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate [ACD/IUPAC Name]
Methyl-(3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oat [German] [ACD/IUPAC Name]
1276655-49-2 [RN]
Me lucidenate N
methyl (4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
methyl lucidenate N

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.9±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: 191.1±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.75
ACD/KOC (pH 5.5): 2280.08
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.75
ACD/KOC (pH 7.4): 2280.08
Polar Surface Area: 101 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 400.7±5.0 cm3

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