ChemSpider 2D Image | (1S,2R,6R,8S,12R,13S,14R,17R,18S)-12,15-Dihydroxy-4,4,9,9,13,18-hexamethyl-3,5-dioxapentacyclo[12.5.0.0~1,6~.0~2,17~.0~8,13~]nonadecan-19-one | C23H36O5

(1S,2R,6R,8S,12R,13S,14R,17R,18S)-12,15-Dihydroxy-4,4,9,9,13,18-hexamethyl-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-19-one

  • Molecular FormulaC23H36O5
  • Average mass392.529 Da
  • Monoisotopic mass392.256287 Da
  • ChemSpider ID62540928

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2R,6R,8S,12R,13S,14R,15S,17R,18S)-12,15-Dihydroxy-4,4,9,9,13,18-hexamethyl-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-19-on [German] [ACD/IUPAC Name]
(1S,2R,6R,8S,12R,13S,14R,15S,17R,18S)-12,15-Dihydroxy-4,4,9,9,13,18-hexamethyl-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-19-one [ACD/IUPAC Name]
(1S,2R,6R,8S,12R,13S,14R,15S,17R,18S)-12,15-Dihydroxy-4,4,9,9,13,18-hexaméthyl-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadécan-19-one [French] [ACD/IUPAC Name]
(1S,2R,6R,8S,12R,13S,14R,17R,18S)-12,15-Dihydroxy-4,4,9,9,13,18-hexamethyl-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-19-on [German] [ACD/IUPAC Name]
(1S,2R,6R,8S,12R,13S,14R,17R,18S)-12,15-Dihydroxy-4,4,9,9,13,18-hexamethyl-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-19-one [ACD/IUPAC Name]
(1S,2R,6R,8S,12R,13S,14R,17R,18S)-12,15-Dihydroxy-4,4,9,9,13,18-hexaméthyl-3,5-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadécan-19-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.4±6.0 kJ/mol
Flash Point: 171.6±23.6 °C
Index of Refraction: 1.564
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 163.75
ACD/KOC (pH 5.5): 1338.18
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 163.75
ACD/KOC (pH 7.4): 1338.18
Polar Surface Area: 76 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 322.5±5.0 cm3

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