ChemSpider 2D Image | (1S,3R,7R,10S,12S,13R,15S,16S,17S,18S,20S)-12,15-Dihydroxy-9,9,18,20-tetramethyl-17-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.0~1,13~.0~3,7~.0~3,10~.0~16,20~]tricosane- 5,14,19-trione | C29H36O10

(1S,3R,7R,10S,12S,13R,15S,16S,17S,18S,20S)-12,15-Dihydroxy-9,9,18,20-tetramethyl-17-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricosane- 5,14,19-trione

  • Molecular FormulaC29H36O10
  • Average mass544.590 Da
  • Monoisotopic mass544.230835 Da
  • ChemSpider ID9881309

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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(1S,3R,7R,10S,12S,13R,15S,16S,17S,18S,20S)-12,15-Dihydroxy-9,9,18,20-tetramethyl-17-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricosan-5 
,14,19-trion [German] [ACD/IUPAC Name]
(1S,3R,7R,10S,12S,13R,15S,16S,17S,18S,20S)-12,15-Dihydroxy-9,9,18,20-tetramethyl-17-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricosane- 
5,14,19-trione [ACD/IUPAC Name]
(1S,3R,7R,10S,12S,13R,15S,16S,17S,18S,20S)-12,15-Dihydroxy-9,9,18,20-tétraméthyl-17-[(2R)-4-méthyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricosane- 
5,14,19-trione [French] [ACD/IUPAC Name]
15H-9,14a-Epoxy-2H-cyclopenta[5',6']cycloocta[1',2':5,6]cyclohepta[1,2-c]furo[3,2-b]furan-2,8,12(5H,9H)-trione, 10-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]dodecahydro-7,9-dihydroxy-5,5,11,12a-tetra methyl-, (3aR,5aS,7S,7aR,9S,9aS,10S,11S,12aS,14aS,15aR)- [ACD/Index Name]
lancifodilactone I

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

Density: 1.4±0.1 g/cm3
Boiling Point: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.0±6.0 kJ/mol
Flash Point: 269.4±27.8 °C
Index of Refraction: 1.617
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 60.74
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 60.65
Polar Surface Area: 146 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 377.4±5.0 cm3

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