ChemSpider 2D Image | (1R,3'S,5Z,5'R,6aR,7S,9aR,10aS)-3-Benzyl-1,3',9a-trimethyl-5'-(2-methyl-1-propen-1-yl)-2,3,4',5',6a,8,9,9a,10,10a-decahydro-1H,3'H-spiro[3-azacyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-7,2'-furan]-1- ol | C32H41NO2

(1R,3'S,5Z,5'R,6aR,7S,9aR,10aS)-3-Benzyl-1,3',9a-trimethyl-5'-(2-methyl-1-propen-1-yl)-2,3,4',5',6a,8,9,9a,10,10a-decahydro-1H,3'H-spiro[3-azacyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-7,2'-furan]-1- ol

  • Molecular FormulaC32H41NO2
  • Average mass471.673 Da
  • Monoisotopic mass471.313721 Da
  • ChemSpider ID59006106

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3'S,5Z,5'R,6aR,7S,9aR,10aS)-3-Benzyl-1,3',9a-trimethyl-5'-(2-methyl-1-propen-1-yl)-2,3,4',5',6a,8,9,9a,10,10a-decahydro-1H,3'H-spiro[3-azacyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-7,2'-furan]-1- ol [ACD/IUPAC Name]
Spiro[3-azacyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-7(1H),2'(3'H)-furan]-1-ol, 2,3,4',5',6a,8,9,9a,10,10a-decahydro-1,3',9a-trimethyl-5'-(2-methyl-1-propen-1-yl)-3-(phenylmethyl)-, (1R,3'S,5Z,5'R,6 aR,7S,9aR,10aS)- [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: 606.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.7±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 141.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 105725.66
ACD/KOC (pH 5.5): 137368.45
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 105725.66
ACD/KOC (pH 7.4): 137368.45
Polar Surface Area: 34 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 402.4±7.0 cm3

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