ChemSpider 2D Image | (1R,7Z,9S,12R,13S,15R)-13-Hydroxy-13-isopropyl-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.1~3,6~.0~12,15~]hexadeca-5,7-diene-4,11-dione | C19H24O6

(1R,7Z,9S,12R,13S,15R)-13-Hydroxy-13-isopropyl-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione

  • Molecular FormulaC19H24O6
  • Average mass348.390 Da
  • Monoisotopic mass348.157288 Da
  • ChemSpider ID58817735

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1R,7Z,9S,12R,13S,15R)-13-Hydroxy-13-isopropyl-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-4,11-dion [German] [ACD/IUPAC Name]
(1R,7Z,9S,12R,13S,15R)-13-Hydroxy-13-isopropyl-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione [ACD/IUPAC Name]
(1R,7Z,9S,12R,13S,15R)-13-Hydroxy-13-isopropyl-3,7,12-triméthyl-10,14,16-trioxatétracyclo[7.5.1.13,6.012,15]hexadéca-5,7-diène-4,11-dione [French] [ACD/IUPAC Name]
6,9-Epoxy-2H-1,4-dioxacyclodeca[cd]pentalene-2,7(6H)-dione, 2a,3,4a,5,11a,11b-hexahydro-3-hydroxy-2a,6,10-trimethyl-3-(1-methylethyl)-, (2aR,3S,4aR,10Z,11aS,11bR)- [ACD/Index Name]
58030-93-6 [RN]
Eremantholide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 203.5±23.6 °C
Index of Refraction: 1.578
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.62
ACD/KOC (pH 5.5): 119.81
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.62
ACD/KOC (pH 7.4): 119.81
Polar Surface Area: 82 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 265.7±5.0 cm3

Click to predict properties on the Chemicalize site


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