ChemSpider 2D Image | 9a-Acetoxy-4a,5,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate | C36H58O8

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

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID90307

More details:

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

9a-(Acetyloxy)-4a,5,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate
9a-Acetoxy-4a,5,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate [ACD/IUPAC Name]
9a-Acetoxy-4a,5,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-ylmyristat [German] [ACD/IUPAC Name]
Myristate de 9a-acétoxy-4a,5,7b-trihydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-1a,1b,4,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulén-9-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,5,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester [ACD/Index Name]
56937-68-9 [RN]
5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-ol, 1,1a-β,1b-α,4,4a,7a-β,7b,8,9,9a-decahydro-4a-α,7b-β,9-α,9a-β-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-β-tetramethyl-, 9a-acetate 9-myristate
C016658
PHMA
Phorbolol acetate myristate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS128465 [DBID]
AIDS-128465 [DBID]
NSC 278618 [DBID]
NSC278618 [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: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 202.2±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 885726.19
ACD/LogD (pH 7.4): 8.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 885719.38
Polar Surface Area: 134 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 526.7±5.0 cm3

Click to predict properties on the Chemicalize site


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