Found 19 results

Search term: MF = 'C_{24}H_{29}ClO_{9}'
ChemSpider 2D Image | 11-hydroxyptilosarcenone | C24H29ClO9

11-hydroxyptilosarcenone

  • Molecular FormulaC24H29ClO9
  • Average mass496.935 Da
  • Monoisotopic mass496.150024 Da
  • ChemSpider ID27026177

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,3aR,4S,6Z,8S,8aS,12S,12aS,13S,13aR)-4-Chlor-12,13a-dihydroxy-1,8a,12-trimethyl-5-methylen-2,11-dioxo-1,2,3a,4,5,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,13-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,3aR,4S,6Z,8S,8aS,12S,12aS,13S,13aR)-4-Chloro-12,13a-dihydroxy-1,8a,12-trimethyl-5-methylene-2,11-dioxo-1,2,3a,4,5,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,13-diyl diaceta te [ACD/IUPAC Name]
11-hydroxyptilosarcenone
Benzo[4,5]cyclodeca[1,2-b]furan-2,11(1H,3aH)-dione, 8,13-bis(acetyloxy)-4-chloro-4,5,8,8a,12,12a,13,13a-octahydro-12,13a-dihydroxy-1,8a,12-trimethyl-5-methylene-, (1R,3aR,4S,6Z,8S,8aS,12S,12aS,13S,13a R)- [ACD/Index Name]
Diacétate de (1R,3aR,4S,6Z,8S,8aS,12S,12aS,13S,13aR)-4-chloro-12,13a-dihydroxy-1,8a,12-triméthyl-5-méthylène-2,11-dioxo-1,2,3a,4,5,8,8a,11,12,12a,13,13a-dodécahydrobenzo[4,5]cyclodéca[1,2-b]furane-8,1 3-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 619.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 328.4±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.37
ACD/KOC (pH 5.5): 185.62
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.36
ACD/KOC (pH 7.4): 185.58
Polar Surface Area: 136 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 364.0±5.0 cm3

Click to predict properties on the Chemicalize site


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