ChemSpider 2D Image | (1'R,2S,3'S,4S,7'S,9'S,10'R,15'S,18'R,19'R,21'R,25'R)-14'-Hydroxy-9'-(hydroxymethyl)-4,9',19',21'-tetramethyl-3,4-dihydro-5H,5'H,20'H-spiro[furan-2,17'-[4,8,16,24]tetraoxaheptacyclo[13.8.1.1~15,18~.0~ 1,13~.0~3,7~.0~3,10~.0~21,25~]pentacos[13]ene]-5,5',20'-trione | C29H36O10

(1'R,2S,3'S,4S,7'S,9'S,10'R,15'S,18'R,19'R,21'R,25'R)-14'-Hydroxy-9'-(hydroxymethyl)-4,9',19',21'-tetramethyl-3,4-dihydro-5H,5'H,20'H-spiro[furan-2,17'-[4,8,16,24]tetraoxaheptacyclo[13.8.1.115,18.0 1,13.03,7.03,10.021,25]pentacos[13]ene]-5,5',20'-trione

  • Molecular FormulaC29H36O10
  • Average mass544.590 Da
  • Monoisotopic mass544.230835 Da
  • ChemSpider ID4443082

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Featured data source
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(1'R,2S,3'S,4S,7'S,9'S,10'R,15'S,18'R,19'R,21'R,25'R)-14'-Hydroxy-9'-(hydroxymethyl)-4,9',19',21'-tetramethyl-3,4-dihydro-5H,5'H,20'H-spiro[furan-2,17'-[4,8,16,24]tetraoxaheptacyclo[13.8.1.115,18.0 1,13.03,7.03,10.021,25]pentacos[13]ene]-5,5',20'-trione [ACD/IUPAC Name]
lancifodilactone G
Lancifoldilactone G

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

Density: 1.5±0.1 g/cm3
Boiling Point: 802.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.8±6.0 kJ/mol
Flash Point: 267.9±27.8 °C
Index of Refraction: 1.636
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.88
ACD/KOC (pH 5.5): 91.82
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.88
ACD/KOC (pH 7.4): 91.80
Polar Surface Area: 138 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 366.8±5.0 cm3

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