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Search term: 28533946 (Found by CSID)
ChemSpider 2D Image | pileotin A | C30H33NO7

pileotin A

  • Molecular FormulaC30H33NO7
  • Average mass519.586 Da
  • Monoisotopic mass519.225708 Da
  • ChemSpider ID28533946

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R,4R,4aS,6S,6aR,12bR)-3,6-Dihydroxy-3-isopropenyl-6a,12b-dimethyl-9-(3-pyridinyl)-1,2,3,4',4a,5,5',6,6a,12b-decahydro-6'H,11H-spiro[benzo[f]pyrano[4,3-b]chromene-4,3'-pyran]-6',11-dione [ACD/IUPAC Name]
pileotin A
Spiro[4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-4,3'(6'H)-[2H]pyran]-6',11-dione, 1,2,3,4',4a,5,5',6,6a,12b-decahydro-3,6-dihydroxy-6a,12b-dimethyl-3-(1-methylethenyl)-9-(3-pyridinyl)-, (3R,4R,4aS,6S,6a R,12bR)- [ACD/Index 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: 770.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 419.9±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 128.15
ACD/KOC (pH 5.5): 1041.50
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 166.31
ACD/KOC (pH 7.4): 1351.66
Polar Surface Area: 115 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

Click to predict properties on the Chemicalize site


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