ChemSpider 2D Image | Solanoeclepin A | C27H30O9

Solanoeclepin A

  • Molecular FormulaC27H30O9
  • Average mass498.522 Da
  • Monoisotopic mass498.188995 Da
  • ChemSpider ID26001541

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R)-2-[(1R,7R,10R,11S,15S,16R,18S)-11,18-Dihydroxy-4-methoxy-6,6,15-trimethyl-3,8,19-trioxo-20-oxahexacyclo[14.2.1.17,10.01,15.02,12.05,10]icosa-2(12),4-dien-16-yl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-[(1R,7R,10R,11S,15S,16R,18S)-11,18-Dihydroxy-4-methoxy-6,6,15-trimethyl-3,8,19-trioxo-20-oxahexacyclo[14.2.1.17,10.01,15.02,12.05,10]icosa-2(12),4-dien-16-yl]cyclopropanecarboxylic a 
cid [ACD/IUPAC Name]
Acide (1R,2R)-2-[(1R,7R,10R,11S,15S,16R,18S)-11,18-dihydroxy-4-méthoxy-6,6,15-triméthyl-3,8,19-trioxo-20-oxahexacyclo[14.2.1.17,10.01,15.02,12.05,10]icosa-2(12),4-dién-16-yl]cyclopropanecarbox ylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-[(1S,3R,3aS,6S,6aR,9R,12bR)-1,2,3a,4,6,7,8,9,10,12-decahydro-1,6-dihydroxy-11-methoxy-3a,10,10-trimethyl-8,12,13-trioxo-6a,9-epoxy-3,12b-methanobenzo[4,5]cyclohept[1,2-e ]inden-3(5H)-yl]-, (1R,2R)- [ACD/Index Name]
Solanoeclepin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 813.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 278.2±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.77
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 321.7±5.0 cm3

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