ChemSpider 2D Image | TERPENDOLE C | C32H41NO5

TERPENDOLE C

  • Molecular FormulaC32H41NO5
  • Average mass519.672 Da
  • Monoisotopic mass519.298462 Da
  • ChemSpider ID8544834

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-1,1,13b,13c-Tetramethyl-3-(2-methyl-1-propen-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']c hromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol [German] [ACD/IUPAC Name]
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-1,1,13b,13c-Tetramethyl-3-(2-methyl-1-propen-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']c hromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol [ACD/IUPAC Name]
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-1,1,13b,13c-Tétraméthyl-3-(2-méthyl-1-propén-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tétradécahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxiréno[4',4a']c hroméno[5',6':6,7]indéno[1,2-b]indol-5b-ol [French] [ACD/IUPAC Name]
156967-65-6 [RN]
5bH-[1,3]Dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol, 1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-1,1,13b,13c-tetramethyl-3-(2-methyl-1-propen-1 -yl)-, (3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)- [ACD/Index Name]
TERPENDOLE C
72252-90-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 344.1±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 63539.93
ACD/KOC (pH 5.5): 95411.75
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 63540.00
ACD/KOC (pH 7.4): 95411.85
Polar Surface Area: 76 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 400.7±5.0 cm3

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