ChemSpider 2D Image | (1S,2S,3R,5R,6R,14R,15S,18S,21S)-5,18-Dihydroxy-1,14,21-trimethyl-25-methylene-4,20,23-trioxaheptacyclo[20.3.1.1~2,5~.0~3,18~.0~3,21~.0~6,15~.0~9,14~]heptacosa-8,11-diene-13,19,24,27-tetrone | C28H30O9

(1S,2S,3R,5R,6R,14R,15S,18S,21S)-5,18-Dihydroxy-1,14,21-trimethyl-25-methylene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

  • Molecular FormulaC28H30O9
  • Average mass510.532 Da
  • Monoisotopic mass510.188995 Da
  • ChemSpider ID64858337

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S,2S,3R,5R,6R,14R,15S,18S,21S)-5,18-Dihydroxy-1,14,21-trimethyl-25-methylen-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-dien-13,19,24,27-tetron [German] [ACD/IUPAC Name]
(1S,2S,3R,5R,6R,14R,15S,18S,21S)-5,18-Dihydroxy-1,14,21-trimethyl-25-methylene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone [ACD/IUPAC Name]
(1S,2S,3R,5R,6R,14R,15S,18S,21S)-5,18-Dihydroxy-1,14,21-triméthyl-25-méthylène-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diène-13,19,24,27-tétrone [French] [ACD/IUPAC Name]
1,17:2,6-Dimethano-8H-naphtho[1,2-f]furo[3,4-b:2,3-c']bisoxocin-4,8,11,19(1H,10H)-tetrone, 2,3,6,6a,8a,9,10a,10b,14,16,16a,17-dodecahydro-8a,17-dihydroxy-2,6a,10b-trimethyl-3-methylene-, (1S,2S,6aS,8a S,10aS,10bR,16aR,17R,18aR)- [ACD/Index Name]
27503-33-9 [RN]
Physalin C

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 786.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.2 mmHg at 25°C
    Enthalpy of Vaporization: 130.4±6.0 kJ/mol
    Flash Point: 266.6±26.4 °C
    Index of Refraction: 1.654
    Molar Refractivity: 125.3±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 2.03
    ACD/BCF (pH 5.5): 20.69
    ACD/KOC (pH 5.5): 304.45
    ACD/LogD (pH 7.4): 2.03
    ACD/BCF (pH 7.4): 20.65
    ACD/KOC (pH 7.4): 303.78
    Polar Surface Area: 136 Å2
    Polarizability: 49.7±0.5 10-24cm3
    Surface Tension: 69.7±5.0 dyne/cm
    Molar Volume: 341.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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