ChemSpider 2D Image | (1R,2R,5R,7R,8R,10S,11R,14S,15S)-2,6,6,10,14,17,17-Heptamethyl-21,22-dioxahexacyclo[18.2.2.0~1,14~.0~2,11~.0~5,10~.0~15,20~]tetracos-23-ene-7,8-diol | C29H46O4

(1R,2R,5R,7R,8R,10S,11R,14S,15S)-2,6,6,10,14,17,17-Heptamethyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-23-ene-7,8-diol

  • Molecular FormulaC29H46O4
  • Average mass458.673 Da
  • Monoisotopic mass458.339600 Da
  • ChemSpider ID57256932
  • defined stereocentres - 9 of 10 defined stereocentres


More details:






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

(1R,2R,5R,7R,8R,10S,11R,14S,15S)-2,6,6,10,14,17,17-Heptamethyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-23-en-7,8-diol [German] [ACD/IUPAC Name]
(1R,2R,5R,7R,8R,10S,11R,14S,15S)-2,6,6,10,14,17,17-Heptamethyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-23-ene-7,8-diol [ACD/IUPAC Name]
(1R,2R,5R,7R,8R,10S,11R,14S,15S)-2,6,6,10,14,17,17-Heptaméthyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tétracos-23-ène-7,8-diol [French] [ACD/IUPAC Name]
4a,6a-Ethenobenzo[c]phenanthro[2,1-e][1,2]dioxin-10,11-diol, 1,2,3,4,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-2,2,6b,9,9,12a,14a-heptamethyl-, (6aR,6bR,8aR,10R,11R,12aS,12bR,14aS,14bS) - [ACD/Index Name]
14,17-Epidioxy-28-nor-15-taraxerene-2,3-diol
66107-60-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 265.5±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 163899.34
ACD/KOC (pH 5.5): 188005.84
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 163899.34
ACD/KOC (pH 7.4): 188005.84
Polar Surface Area: 59 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 396.3±5.0 cm3

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