ChemSpider 2D Image | (1S,2S,5S,14S,15R,18R,19R,20S)-20-Ethoxy-5,15,19-trimethyl-6,21-dioxahexacyclo[17.3.3.0~1,18~.0~2,15~.0~5,14~.0~7,12~]pentacosa-7,9,11-trien-10-ol | C28H40O4

(1S,2S,5S,14S,15R,18R,19R,20S)-20-Ethoxy-5,15,19-trimethyl-6,21-dioxahexacyclo[17.3.3.01,18.02,15.05,14.07,12]pentacosa-7,9,11-trien-10-ol

  • Molecular FormulaC28H40O4
  • Average mass440.615 Da
  • Monoisotopic mass440.292664 Da
  • ChemSpider ID35517011

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2S,5S,14S,15R,18R,19R,20S)-20-Ethoxy-5,15,19-trimethyl-6,21-dioxahexacyclo[17.3.3.01,18.02,15.05,14.07,12]pentacosa-7,9,11-trien-10-ol [German] [ACD/IUPAC Name]
(1S,2S,5S,14S,15R,18R,19R,20S)-20-Ethoxy-5,15,19-trimethyl-6,21-dioxahexacyclo[17.3.3.01,18.02,15.05,14.07,12]pentacosa-7,9,11-trien-10-ol [ACD/IUPAC Name]
(1S,2S,5S,14S,15R,18R,19R,20S)-20-Éthoxy-5,15,19-triméthyl-6,21-dioxahexacyclo[17.3.3.01,18.02,15.05,14.07,12]pentacosa-7,9,11-trién-10-ol [French] [ACD/IUPAC Name]
4H-1,4a-Propano[2]benzopyrano[7,8-a]xanthen-10-ol, 2-ethoxy-1,2,4b,5,6,6a,12,12a,12b,13,14,14a-dodecahydro-1,6a,12b-trimethyl-, (1R,2S,4aS,4bS,6aS,12aS,12bR,14aR)- [ACD/Index 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: 562.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 44341.13
ACD/KOC (pH 5.5): 73750.58
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44301.22
ACD/KOC (pH 7.4): 73684.21
Polar Surface Area: 48 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 373.5±5.0 cm3

Click to predict properties on the Chemicalize site


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