ChemSpider 2D Image | Kadcoccitone C | C30H44O5

Kadcoccitone C

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID30652085

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2Z,6R)-6-[(4aS,4bR,5aR,5bS,9aS,9bS,11aR)-5b-Hydroxy-1,1,4a,6,9a-pentamethyl-2-oxo-1,2,3,4,4a,5a,5b,8,9,9a,9b,10,11,11a-tetradecahydrobenzo[7,8]fluoreno[8a,9-b]oxiren-7-yl]-2-methyl-2-heptenoic acid [ACD/IUPAC Name]
(2Z,6R)-6-[(4aS,4bR,5aR,5bS,9aS,9bS,11aR)-5b-Hydroxy-1,1,4a,6,9a-pentamethyl-2-oxo-1,2,3,4,4a,5a,5b,8,9,9a,9b,10,11,11a-tetradecahydrobenzo[7,8]fluoreno[8a,9-b]oxiren-7-yl]-2-methyl-2-heptensäure [German] [ACD/IUPAC Name]
2-Heptenoic acid, 2-methyl-6-[(4aS,4bR,5aR,5bS,9aS,9bS,11aR)-1,2,3,4,4a,5a,5b,8,9,9a,9b,10,11,11a-tetradecahydro-5b-hydroxy-1,1,4a,6,9a-pentamethyl-2-oxobenzo[7,8]fluoreno[8a,9-b]oxiren-7-yl]-, (2Z,6R )- [ACD/Index Name]
Acide (2Z,6R)-6-[(4aS,4bR,5aR,5bS,9aS,9bS,11aR)-5b-hydroxy-1,1,4a,6,9a-pentaméthyl-2-oxo-1,2,3,4,4a,5a,5b,8,9,9a,9b,10,11,11a-tétradécahydrobenzo[7,8]fluoréno[8a,9-b]oxirén-7-yl]-2-méthyl-2-hepténoïqu e [French] [ACD/IUPAC Name]
Kadcoccitone C

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

Density: 1.2±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: 200.8±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 3747.64
ACD/KOC (pH 5.5): 8388.14
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 64.57
ACD/KOC (pH 7.4): 144.52
Polar Surface Area: 87 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 410.3±5.0 cm3

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