ChemSpider 2D Image | 3a,16-Dihydroxy-15a,17a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-1,2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17a-hexadecahydro-9H,17H-cyclopenta[7,8]phenanthro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4
]dioxin-17-one | C29H36O10

3a,16-Dihydroxy-15a,17a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-1,2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17a-hexadecahydro-9H,17H-cyclopenta[7,8]phenanthro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4 ]dioxin-17-one

  • Molecular FormulaC29H36O10
  • Average mass544.590 Da
  • Monoisotopic mass544.230835 Da
  • ChemSpider ID284360

More details:






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

3a,16-Dihydroxy-15a,17a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-1,2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17a-hexadecahydro-9H,17H-cyclopenta[7,8]phenanthro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4 ]dioxin-17-on [German] [ACD/IUPAC Name]
3a,16-Dihydroxy-15a,17a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-1,2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17a-hexadecahydro-9H,17H-cyclopenta[7,8]phenanthro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4 ]dioxin-17-one [ACD/IUPAC Name]
3a,16-Dihydroxy-15a,17a-diméthyl-1-(5-oxo-2,5-dihydro-3-furanyl)-1,2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17a-hexadécahydro-9H,17H-cyclopenta[7,8]phénanthro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4 ]dioxin-17-one [French] [ACD/IUPAC Name]
7aH,9H,17H-Cyclopenta[7,8]phenanthro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4]dioxin-17-one, 1-(2,5-dihydro-5-oxo-3-furanyl)-1,2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17a-hexadecahydro-3a,16-dihydro xy-15a,17a-dimethyl- [ACD/Index Name]
64144-98-5 [RN]
Elaeodendroside A

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

NSC270926 [DBID]
NSC270929 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 745.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 247.5±26.4 °C
Index of Refraction: 1.639
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.75
ACD/KOC (pH 5.5): 432.10
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.75
ACD/KOC (pH 7.4): 432.09
Polar Surface Area: 130 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 369.7±5.0 cm3

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