ChemSpider 2D Image | (2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[2-(1-Acetoxy-3,3-dimethylcyclohexyl)ethylidene]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furan-2,3-diyl diacetate | C24H32O10

(2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[2-(1-Acetoxy-3,3-dimethylcyclohexyl)ethylidene]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furan-2,3-diyl diacetate

  • Molecular FormulaC24H32O10
  • Average mass480.505 Da
  • Monoisotopic mass480.199554 Da
  • ChemSpider ID28286683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[2-(1-Acetoxy-3,3-dimethylcyclohexyl)ethyliden]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furan-2,3-diyl-diacetat [German] [ACD/IUPAC Name]
(2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[2-(1-Acetoxy-3,3-dimethylcyclohexyl)ethylidene]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furan-2,3-diyl diacetate [ACD/IUPAC Name]
Diacétate de (2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[2-(1-acétoxy-3,3-diméthylcyclohexyl)éthylidène]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furane-2,3-diyle [French] [ACD/IUPAC Name]
Difuro[2,3-b:3',2'-d]furan-2(3H)-one, 4,5-bis(acetyloxy)-3-[2-[1-(acetyloxy)-3,3-dimethylcyclohexyl]ethylidene]hexahydro-, (3Z,3aR,3bS,4S,5R,6aR,7aS)- [ACD/Index Name]
gracilin J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 250.2±30.2 °C
Index of Refraction: 1.539
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.72
ACD/KOC (pH 5.5): 1503.71
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.72
ACD/KOC (pH 7.4): 1503.71
Polar Surface Area: 124 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 368.4±5.0 cm3

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