Found 386 results

Search term: MF = 'C_{30}H_{39}NO_{6}'
ChemSpider 2D Image | (9aS)-1,5',9a-Trimethyl-3',3a,3b,4',5',5a,6,6',7,8,9,9a,9b,10,11,11a-hexadecahydro-1H-spiro[phenanthro[1,2-b]furan-2,2'-pyran]-7-yl 4-nitrobenzoate | C30H39NO6

(9aS)-1,5',9a-Trimethyl-3',3a,3b,4',5',5a,6,6',7,8,9,9a,9b,10,11,11a-hexadecahydro-1H-spiro[phenanthro[1,2-b]furan-2,2'-pyran]-7-yl 4-nitrobenzoate

  • Molecular FormulaC30H39NO6
  • Average mass509.634 Da
  • Monoisotopic mass509.277740 Da
  • ChemSpider ID17465181

  • defined stereocentres - 1 of 10 defined stereocentres

More details:

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

(9aS)-1,5',9a-Trimethyl-3',3a,3b,4',5',5a,6,6',7,8,9,9a,9b,10,11,11a-hexadecahydro-1H-spiro[phenanthro[1,2-b]furan-2,2'-pyran]-7-yl 4-nitrobenzoate [ACD/IUPAC Name]
Spiro[phenanthro[1,2-b]furan-2(1H),2'-[2H]pyran]-7-ol, 3',3a,3b,4',5',5a,6,6',7,8,9,9a,9b,10,11,11a-hexadecahydro-1,5',9a-trimethyl-, 4-nitrobenzoate, (9aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 213.2±33.5 °C
Index of Refraction: 1.589
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64636.77
ACD/KOC (pH 5.5): 96587.73
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64636.77
ACD/KOC (pH 7.4): 96587.73
Polar Surface Area: 91 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

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