ChemSpider 2D Image | 4,4a,7b-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl myristate | C34H54O7

4,4a,7b-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl myristate

  • Molecular FormulaC34H54O7
  • Average mass574.788 Da
  • Monoisotopic mass574.386963 Da
  • ChemSpider ID285917

More details:

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

4,4a,7b-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl myristate [ACD/IUPAC Name]
4,4a,7b-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-ylmyristat [German] [ACD/IUPAC Name]
Myristate de 4,4a,7b-trihydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-décahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulén-9a-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester [ACD/Index Name]
66583-64-0 [RN]
Deoxy-5β-hydroxyphorbol myristate
PHORBOL, 12-DEOXY-5B-HYDROXY-13-MYRISTATE B807430K076
PHORBOL,12-DEOXY-5B-HYDROXY-13-MYRISTATE B807430K076

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

NSC281269 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 207.7±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 158.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 697793.06
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 697570.13
Polar Surface Area: 124 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 488.1±5.0 cm3

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