ChemSpider 2D Image | (3Z,9R,11Z,12aS,13S,15S,15aS,16S,18aR)-16-Benzyl-13-hydroxy-9,15-dimethyl-14-methylene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione | C29H35NO5

(3Z,9R,11Z,12aS,13S,15S,15aS,16S,18aR)-16-Benzyl-13-hydroxy-9,15-dimethyl-14-methylene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione

  • Molecular FormulaC29H35NO5
  • Average mass477.592 Da
  • Monoisotopic mass477.251526 Da
  • ChemSpider ID67865880

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3Z,9R,11Z,12aS,13S,15S,15aS,16S,18aR)-16-Benzyl-13-hydroxy-9,15-dimethyl-14-methylen-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindol-2,5,18-trion [German] [ACD/IUPAC Name]
(3Z,9R,11Z,12aS,13S,15S,15aS,16S,18aR)-16-Benzyl-13-hydroxy-9,15-dimethyl-14-methylene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione [ACD/IUPAC Name]
(3Z,9R,11Z,12aS,13S,15S,15aS,16S,18aR)-16-Benzyl-13-hydroxy-9,15-diméthyl-14-méthylène-6,7,8,9,10,12a,13,14,15,15a,16,17-dodécahydro-2H-oxacyclotétradécino[2,3-d]isoindole-2,5,18-trione [French] [ACD/IUPAC Name]
2H-Oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (3Z,9R,11Z,12aS,13S,15S,15aS,16S,18aR)- [ACD/Index Name]
14110-64-6 [RN]
meilun
MFCD00005935

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 725.1±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: 392.3±32.9 °C
    Index of Refraction: 1.590
    Molar Refractivity: 133.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.83
    ACD/LogD (pH 5.5): 3.22
    ACD/BCF (pH 5.5): 166.01
    ACD/KOC (pH 5.5): 1351.40
    ACD/LogD (pH 7.4): 3.22
    ACD/BCF (pH 7.4): 166.01
    ACD/KOC (pH 7.4): 1351.40
    Polar Surface Area: 93 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 52.0±5.0 dyne/cm
    Molar Volume: 395.8±5.0 cm3

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