Found 23 results

Search term: MF = 'C_{37}H_{47}NO_{4}'
ChemSpider 2D Image | 3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-6-{(E)-2-[(2R,4aR,9aR)-2-hydroxy-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-yl]vinyl}-1H-indol-4-ol | C37H47NO4

3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-6-{(E)-2-[(2R,4aR,9aR)-2-hydroxy-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-yl]vinyl}-1H-indol-4-ol

  • Molecular FormulaC37H47NO4
  • Average mass569.773 Da
  • Monoisotopic mass569.350525 Da
  • ChemSpider ID34238321

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Indol-4-ol, 3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-6-[(E)-2-[(2R,4aR,9aR)-2,3,4,4a,9,9a-hexahydro-2-hydroxy-5-methoxy-1,1,4a-trimethyl-1H-xanthen-7-yl]ethenyl]- [ACD/Index Name]
3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-6-{(E)-2-[(2R,4aR,9aR)-2-hydroxy-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-yl]vinyl}-1H-indol-4-ol [German] [ACD/IUPAC Name]
3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-6-{(E)-2-[(2R,4aR,9aR)-2-hydroxy-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-yl]vinyl}-1H-indol-4-ol [ACD/IUPAC Name]
3-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-6-{(E)-2-[(2R,4aR,9aR)-2-hydroxy-5-méthoxy-1,1,4a-triméthyl-2,3,4,4a,9,9a-hexahydro-1H-xanthén-7-yl]vinyl}-1H-indol-4-ol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 176.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.32
ACD/LogD (pH 5.5): 9.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2635529.75
ACD/LogD (pH 7.4): 9.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2634025.50
Polar Surface Area: 75 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 499.2±3.0 cm3

Click to predict properties on the Chemicalize site


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