Found 19 results

Search term: MF = 'C_{24}H_{29}ClO_{9}'
ChemSpider 2D Image | (1R,3aR,4S,6S,7E,8aS,9R,9aR,10S,11S,11aR,12S)-4-Chloro-6,11a-dihydroxy-1,9a,12-trimethyl-5-methylene-2,13-dioxo-1,2,3a,4,5,6,8a,9,9a,10,11,11a-dodecahydro-9,10-ethanocyclopropa[5,6]cycloundeca[1,2-b]f uran-11,12-diyl diacetate | C24H29ClO9

(1R,3aR,4S,6S,7E,8aS,9R,9aR,10S,11S,11aR,12S)-4-Chloro-6,11a-dihydroxy-1,9a,12-trimethyl-5-methylene-2,13-dioxo-1,2,3a,4,5,6,8a,9,9a,10,11,11a-dodecahydro-9,10-ethanocyclopropa[5,6]cycloundeca[1,2-b]f uran-11,12-diyl diacetate

  • Molecular FormulaC24H29ClO9
  • Average mass496.935 Da
  • Monoisotopic mass496.150024 Da
  • ChemSpider ID29213220

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,3aR,4S,6S,7E,8aS,9R,9aR,10S,11S,11aR,12S)-4-Chlor-6,11a-dihydroxy-1,9a,12-trimethyl-5-methylen-2,13-dioxo-1,2,3a,4,5,6,8a,9,9a,10,11,11a-dodecahydro-9,10-ethanocyclopropa[5,6]cycloundeca[1,2-b]fur an-11,12-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,3aR,4S,6S,7E,8aS,9R,9aR,10S,11S,11aR,12S)-4-Chloro-6,11a-dihydroxy-1,9a,12-trimethyl-5-methylene-2,13-dioxo-1,2,3a,4,5,6,8a,9,9a,10,11,11a-dodecahydro-9,10-ethanocyclopropa[5,6]cycloundeca[1,2-b]f uran-11,12-diyl diacetate [ACD/IUPAC Name]
9,10-Ethanocyclopropa[5,6]cycloundeca[1,2-b]furan-2,13(1H)-dione, 11,12-bis(acetyloxy)-4-chloro-3a,4,5,6,8a,9,9a,10,11,11a-decahydro-6,11a-dihydroxy-1,9a,12-trimethyl-5-methylene-, (1R,3aR,4S,6S,7E,8a S,9R,9aR,10S,11S,11aR,12S)- [ACD/Index Name]
Diacétate de (1R,3aR,4S,6S,7E,8aS,9R,9aR,10S,11S,11aR,12S)-4-chloro-6,11a-dihydroxy-1,9a,12-triméthyl-5-méthylène-2,13-dioxo-1,2,3a,4,5,6,8a,9,9a,10,11,11a-dodécahydro-9,10-éthanocyclopropa[5,6]cyclou ndéca[1,2-b]furane-11,12-diyle [French] [ACD/IUPAC Name]
erythrolide V

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 325.2±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 117.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.49
ACD/KOC (pH 5.5): 117.72
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.49
ACD/KOC (pH 7.4): 117.70
Polar Surface Area: 136 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 353.1±5.0 cm3

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