ChemSpider 2D Image | Bipinnatin K | C23H26O9

Bipinnatin K

  • Molecular FormulaC23H26O9
  • Average mass446.447 Da
  • Monoisotopic mass446.157684 Da
  • ChemSpider ID23314658

  • 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

(2S,6S,8R,12S,14R,15S)-14-Hydroxy-15-methoxy-14,18-dimethyl-5-methylen-4,10-dioxo-3,11,19-trioxatetracyclo[14.2.1.19,12.02,6]icosa-1(18),9(20),16-trien-8-yl-acetat [German] [ACD/IUPAC Name]
(2S,6S,8R,12S,14R,15S)-14-Hydroxy-15-methoxy-14,18-dimethyl-5-methylene-4,10-dioxo-3,11,19-trioxatetracyclo[14.2.1.19,12.02,6]icosa-1(18),9(20),16-trien-8-yl acetate [ACD/IUPAC Name]
(3aS,5R,9S,11R,12S,16aS)-11-hydroxy-12-methoxy-11,15-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,9,10,11,12,16a-decahydro-13,16-epoxy-9,6-(metheno)furo[3,2-f]oxacyclopentadecin-5(7H)-yl acetate
7H-13,16-Epoxy-9,6-methenofuro[3,2-f]oxacyclopentadecin-2,7(3H)-dione, 5-(acetyloxy)-3a,4,5,9,10,11,12,16a-octahydro-11-hydroxy-12-methoxy-11,15-dimethyl-3-methylene-, (3aS,5R,9S,11R,12S,16aS)- [ACD/Index Name]
Acétate de (2S,6S,8R,12S,14R,15S)-14-hydroxy-15-méthoxy-14,18-diméthyl-5-méthylène-4,10-dioxo-3,11,19-trioxatétracyclo[14.2.1.19,12.02,6]icosa-1(18),9(20),16-trién-8-yle [French] [ACD/IUPAC Name]
Bipinnatin K

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

Density: 1.4±0.1 g/cm3
Boiling Point: 665.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 109.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.03
ACD/KOC (pH 5.5): 181.31
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.03
ACD/KOC (pH 7.4): 181.31
Polar Surface Area: 122 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 329.4±5.0 cm3

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