ChemSpider 2D Image | (1'R,2S,2'S,3S,7'R,10'S,12'S)-3,10',12'-Trihydroxy-5',7',11',11'-tetramethyl-6-(3-pyridinyl)-3H,4H-spiro[furo[3,2-c]pyran-2,6'-[13]oxatetracyclo[10.2.2.0~1,10~.0~2,7~]hexadec[4]en]-4-one | C30H35NO7

(1'R,2S,2'S,3S,7'R,10'S,12'S)-3,10',12'-Trihydroxy-5',7',11',11'-tetramethyl-6-(3-pyridinyl)-3H,4H-spiro[furo[3,2-c]pyran-2,6'-[13]oxatetracyclo[10.2.2.01,10.02,7]hexadec[4]en]-4-one

  • Molecular FormulaC30H35NO7
  • Average mass521.601 Da
  • Monoisotopic mass521.241333 Da
  • ChemSpider ID44210936

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1'R,2S,2'S,3S,7'R,10'S,12'S)-3,10',12'-Trihydroxy-5',7',11',11'-tetramethyl-6-(3-pyridinyl)-3H,4H-spiro[furo[3,2-c]pyran-2,6'-[13]oxatetracyclo[10.2.2.01,10.02,7]hexadec[4]en]-4-one [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 749.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 185.62
ACD/KOC (pH 5.5): 1357.27
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.26
ACD/KOC (pH 7.4): 1764.04
Polar Surface Area: 118 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

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