ChemSpider 2D Image | (1S,2S,13S,15R)-6,8-Dihydroxy-17,17-dimethyl-5,15-bis(3-methyl-2-buten-1-yl)-3,16-dioxapentacyclo[11.4.1.0~2,11~.0~2,15~.0~4,9~]octadeca-4,6,8,11-tetraene-10,14-dione | C28H32O6

(1S,2S,13S,15R)-6,8-Dihydroxy-17,17-dimethyl-5,15-bis(3-methyl-2-buten-1-yl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione

  • Molecular FormulaC28H32O6
  • Average mass464.550 Da
  • Monoisotopic mass464.219879 Da
  • ChemSpider ID29416491
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(1S,2S,13S,15R)-6,8-Dihydroxy-17,17-dimethyl-5,15-bis(3-methyl-2-buten-1-yl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-10,14-dion [German] [ACD/IUPAC Name]
(1S,2S,13S,15R)-6,8-Dihydroxy-17,17-dimethyl-5,15-bis(3-methyl-2-buten-1-yl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione [ACD/IUPAC Name]
(1S,2S,13S,15R)-6,8-Dihydroxy-17,17-diméthyl-5,15-bis(3-méthyl-2-butén-1-yl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadéca-4,6,8,11-tétraène-10,14-dione [French] [ACD/IUPAC Name]
1,5-Methano-1H,7H-furo[3,4-d]xanthene-7,13-dione, 3,3a,4,5-tetrahydro-8,10-dihydroxy-3,3-dimethyl-1,11-bis(3-methyl-2-buten-1-yl)-, (1R,3aS,5S,12aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 220.6±25.0 °C
Index of Refraction: 1.631
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23136.69
ACD/KOC (pH 5.5): 45878.45
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 6515.32
ACD/KOC (pH 7.4): 12919.43
Polar Surface Area: 93 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 354.1±5.0 cm3

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