ChemSpider 2D Image | (1S,2S,5S,14S,15R,18R,19R,20S)-20-Methoxy-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 | C27H38O4

(1S,2S,5S,14S,15R,18R,19R,20S)-20-Methoxy-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 FormulaC27H38O4
  • Average mass426.588 Da
  • Monoisotopic mass426.277008 Da
  • ChemSpider ID35517010

  • 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-Methoxy-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-Methoxy-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-Méthoxy-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, 1,2,4b,5,6,6a,12,12a,12b,13,14,14a-dodecahydro-2-methoxy-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: 551.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 287.4±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19532.69
ACD/KOC (pH 5.5): 41012.12
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19515.09
ACD/KOC (pH 7.4): 40975.16
Polar Surface Area: 48 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 357.4±5.0 cm3

Click to predict properties on the Chemicalize site


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