ChemSpider 2D Image | Eriocarpin | C29H38O11

Eriocarpin

  • Molecular FormulaC29H38O11
  • Average mass562.605 Da
  • Monoisotopic mass562.241394 Da
  • ChemSpider ID390434

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,3aR,3bR,4aS,5aR,6aR,7aS,9R,11R,11aS,12aR,13aS,13bS,14S,15aR)-3a,11,11a,14-Tetrahydroxy-9,13a,15a-trimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)octadecahydro-7aH-cyclopenta[7,8]oxireno[8a,9]phenanthro[2 ,3-b]pyrano[3,2-e][1,4]dioxin-15(1H)-on [German] [ACD/IUPAC Name]
(1R,3aR,3bR,4aS,5aR,6aR,7aS,9R,11R,11aS,12aR,13aS,13bS,14S,15aR)-3a,11,11a,14-Tetrahydroxy-9,13a,15a-trimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)octadecahydro-7aH-cyclopenta[7,8]oxireno[8a,9]phenanthro[2 ,3-b]pyrano[3,2-e][1,4]dioxin-15(1H)-one [ACD/IUPAC Name]
(1R,3aR,3bR,4aS,5aR,6aR,7aS,9R,11R,11aS,12aR,13aS,13bS,14S,15aR)-3a,11,11a,14-Tétrahydroxy-9,13a,15a-triméthyl-1-(5-oxo-2,5-dihydro-3-furanyl)octadécahydro-7aH-cyclopenta[7,8]oxiréno[8a,9]phénanthro[2 ,3-b]pyrano[3,2-e][1,4]dioxin-15(1H)-one [French] [ACD/IUPAC Name]
9H-Cyclopent[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-15(1H)-one, 1-(2,5-dihydro-5-oxo-3-furanyl)octadecahydro-3a,11,11a,14-tetrahydroxy-9,13a,15a-trimethyl-, (1R,3aR,3bR,4aS,5aR,6aR ,7aS,9R,11R,11aS,12aR,13aS,13bS,14S,15aR)- [ACD/Index Name]
Eriocarpin
66419-09-8 [RN]

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

C08865 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 819.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.6±6.0 kJ/mol
Flash Point: 272.3±27.8 °C
Index of Refraction: 1.655
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.38
ACD/KOC (pH 5.5): 83.26
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.38
ACD/KOC (pH 7.4): 83.25
Polar Surface Area: 165 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 366.7±5.0 cm3

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