ChemSpider 2D Image | PHORBOL 12,13-DIBENZOATE | C34H36O8

PHORBOL 12,13-DIBENZOATE

  • Molecular FormulaC34H36O8
  • Average mass572.645 Da
  • Monoisotopic mass572.241028 Da
  • ChemSpider ID65246

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-Dihydroxy-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-9,9a-diyl-dibenzoat [German] [ACD/IUPAC Name]
(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-Dihydroxy-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]azulene-9,9a-diyl dibenzoate [ACD/IUPAC Name]
25405-85-0 [RN]
5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)- [ACD/Index Name]
Dibenzoate de (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-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]azulène-9,9a-diyle [French] [ACD/IUPAC Name]
PHORBOL 12,13-DIBENZOATE
22391-37-3 [RN]
4β-Phorbol 12,13-dibenzoate
4-β-Phorbol 12,13-dibenzoate
5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-9,9a-bis(benzoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1a-α,4b-β,4a-β,7a-α,7b-α,8-α,9-β,9a-α))
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS001980 [DBID]
AIDS-001980 [DBID]
CCRIS 695 [DBID]
NSC 262643 [DBID]
NSC262643 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 725.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.2±3.0 kJ/mol
    Flash Point: 231.2±26.4 °C
    Index of Refraction: 1.654
    Molar Refractivity: 152.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.69
    ACD/LogD (pH 5.5): 5.57
    ACD/BCF (pH 5.5): 10053.96
    ACD/KOC (pH 5.5): 25495.42
    ACD/LogD (pH 7.4): 5.57
    ACD/BCF (pH 7.4): 10052.51
    ACD/KOC (pH 7.4): 25491.75
    Polar Surface Area: 130 Å2
    Polarizability: 60.6±0.5 10-24cm3
    Surface Tension: 66.4±5.0 dyne/cm
    Molar Volume: 417.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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