ChemSpider 2D Image | (1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-11-Isopropyl-7,10-dimethyl-3-methylene-15-oxapentacyclo[7.5.1.0~1,6~.0~7,13~.0~10,14~]pentadecane-2,6,9,11,12,13,14-heptol | C20H30O8

(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-11-Isopropyl-7,10-dimethyl-3-methylene-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,12,13,14-heptol

  • Molecular FormulaC20H30O8
  • Average mass398.447 Da
  • Monoisotopic mass398.194061 Da
  • ChemSpider ID31112097
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-11-Isopropyl-7,10-dimethyl-3-methylen-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-2,6,9,11,12,13,14-heptol [German] [ACD/IUPAC Name]
(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-11-Isopropyl-7,10-dimethyl-3-methylene-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,12,13,14-heptol [ACD/IUPAC Name]
(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-11-Isopropyl-7,10-diméthyl-3-méthylène-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadécane-2,6,9,11,12,13,14-heptol [French] [ACD/IUPAC Name]
6,9-Methanobenzo[1,2]pentaleno[1,6-bc]furan-4,6,7,8,8a,8b,9a(8H,9H)-heptol, hexahydro-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-, (4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)- [ACD/Index Name]
106821-54-9 [RN]
9,21-Didehydroryanodol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 307.2±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 63.76
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 63.74
Polar Surface Area: 151 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 251.4±5.0 cm3

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