ChemSpider 2D Image | (4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-Hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-4b,6,6a,7a,10a,11,11a,11b,12,13-decahydrochryseno[2,3-d][1,3]dioxole-2,7(4aH,5H)-dione | C25H34O6

(4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-Hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-4b,6,6a,7a,10a,11,11a,11b,12,13-decahydrochryseno[2,3-d][1,3]dioxole-2,7(4aH,5H)-dione

  • Molecular FormulaC25H34O6
  • Average mass430.534 Da
  • Monoisotopic mass430.235535 Da
  • ChemSpider ID57378918

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-Hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-4b,6,6a,7a,10a,11,11a,11b,12,13-decahydrochryseno[2,3-d][1,3]dioxol-2,7(4aH,5H)-dion [German] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-Hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-4b,6,6a,7a,10a,11,11a,11b,12,13-decahydrochryseno[2,3-d][1,3]dioxole-2,7(4aH,5H)-dione [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-Hydroxy-7a-(hydroxyméthyl)-4a,6a-diméthyl-9-propyl-4b,6,6a,7a,10a,11,11a,11b,12,13-décahydrochryséno[2,3-d][1,3]dioxole-2,7(4aH,5H)-dione [French] [ACD/IUPAC Name]
1040085-99-1 [RN]
Chryseno[2,3-d][1,3]dioxole-2,7(4aH,5H)-dione, 4b,6,6a,7a,10a,11,11a,11b,12,13-decahydro-5-hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-, (4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)- [ACD/Index Name]
(4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-4b,5,6,6a,10a,11,11a,11b,12,13-decahydrochryseno[2,3-d][1,3]dioxole-2,7(4aH,7aH)-dione
16??,17-[(1rs)-butylidenebis(oxy)]-11??-hydroxy-17-(hydroxymethyl)-d-homoandrosta-1,4-diene-3,17a-dione (mixture of diastereomers)
16??,17-[(1RS)-Butylidenebis(oxy)]-11??-hydroxy-17-(hydroxymethyl)-D-homoandrosta-1,4-diene-3,17a-dione (Mixture of Diastereomers)
16-Hydroxycapsaicin

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 607.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 103.5±6.0 kJ/mol
    Flash Point: 204.6±25.0 °C
    Index of Refraction: 1.592
    Molar Refractivity: 113.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 66.91
    ACD/KOC (pH 5.5): 705.16
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 66.91
    ACD/KOC (pH 7.4): 705.16
    Polar Surface Area: 93 Å2
    Polarizability: 45.1±0.5 10-24cm3
    Surface Tension: 55.2±5.0 dyne/cm
    Molar Volume: 336.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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