ChemSpider 2D Image | Garsubellin A | C30H44O5

Garsubellin A

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID28283196

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(1R,3R,8S,10R)-3-(2-Hydroxy-2-propanyl)-8-isobutyryl-9,9-dimethyl-6,10-bis(3-methyl-2-buten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-en-7,12-dion [German] [ACD/IUPAC Name]
(1R,3R,8S,10R)-3-(2-Hydroxy-2-propanyl)-8-isobutyryl-9,9-dimethyl-6,10-bis(3-methyl-2-buten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione [ACD/IUPAC Name]
(1R,3R,8S,10R)-3-(2-Hydroxy-2-propanyl)-8-isobutyryl-9,9-diméthyl-6,10-bis(3-méthyl-2-butén-1-yl)-4-oxatricyclo[6.3.1.01,5]dodéc-5-ène-7,12-dione [French] [ACD/IUPAC Name]
8H-3a,7-Methanocycloocta[b]furan-8,10-dione, 2,3,4,5,6,7-hexahydro-2-(1-hydroxy-1-methylethyl)-6,6-dimethyl-5,9-bis(3-methyl-2-buten-1-yl)-7-(2-methyl-1-oxopropyl)-, (2R,3aR,5R,7S)- [ACD/Index Name]
Garsubellin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 186.7±23.6 °C
Index of Refraction: 1.537
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61141.14
ACD/KOC (pH 5.5): 92819.45
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 61141.14
ACD/KOC (pH 7.4): 92819.45
Polar Surface Area: 81 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

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