Found 1 result

Search term: 78442608 (Found by CSID)
ChemSpider 2D Image | (2R,3R,4aS,6aR,6bS,12cR,14aS)-3-Isopropenyl-6a,6b-dimethyl-2,3,4a,5,6,6a,6b,7,8,12c,13,14-dodecahydro-14aH-chromeno[6',5':4,5]indeno[2,1-b]indole-2,14a-diol | C27H33NO3

(2R,3R,4aS,6aR,6bS,12cR,14aS)-3-Isopropenyl-6a,6b-dimethyl-2,3,4a,5,6,6a,6b,7,8,12c,13,14-dodecahydro-14aH-chromeno[6',5':4,5]indeno[2,1-b]indole-2,14a-diol

  • Molecular FormulaC27H33NO3
  • Average mass419.556 Da
  • Monoisotopic mass419.246033 Da
  • ChemSpider ID78442608

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R,4aS,6aR,6bS,12cR,14aS)-3-Isopropenyl-6a,6b-dimethyl-2,3,4a,5,6,6a,6b,7,8,12c,13,14-dodecahydro-14aH-chromeno[6',5':4,5]indeno[2,1-b]indol-2,14a-diol [German] [ACD/IUPAC Name]
(2R,3R,4aS,6aR,6bS,12cR,14aS)-3-Isopropenyl-6a,6b-dimethyl-2,3,4a,5,6,6a,6b,7,8,12c,13,14-dodecahydro-14aH-chromeno[6',5':4,5]indeno[2,1-b]indole-2,14a-diol [ACD/IUPAC Name]
(2R,3R,4aS,6aR,6bS,12cR,14aS)-3-Isopropényl-6a,6b-diméthyl-2,3,4a,5,6,6a,6b,7,8,12c,13,14-dodécahydro-14aH-chroméno[6',5':4,5]indéno[2,1-b]indole-2,14a-diol [French] [ACD/IUPAC Name]
14aH-[1]Benzopyrano[6',5':4,5]indeno[2,1-b]indole-2,14a-diol, 2,3,4a,5,6,6a,6b,7,8,12c,13,14-dodecahydro-6a,6b-dimethyl-3-(1-methylethenyl)-, (2R,3R,4aS,6aR,6bS,12cR,14aS)- [ACD/Index Name]
Penijanthine A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6730.46
ACD/KOC (pH 5.5): 19129.60
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6730.46
ACD/KOC (pH 7.4): 19129.58
Polar Surface Area: 65 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

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