ChemSpider 2D Image | elaeodendroside F | C31H42O10

elaeodendroside F

  • Molecular FormulaC31H42O10
  • Average mass574.659 Da
  • Monoisotopic mass574.277771 Da
  • ChemSpider ID23284660

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2S,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-11-methoxy-13a,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H ,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yl acetate [ACD/IUPAC Name]
(1R,2S,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-11-methoxy-13a,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H ,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yl-acetat [German] [ACD/IUPAC Name]
(1R,2S,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yl acetate
2(5H)-Furanone, 4-[(1R,2S,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-2-(acetyloxy)-2,3,3a,3b,4,5,6a,7a,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl- 1H,9H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]- [ACD/Index Name]
2(5H)-furanone, 4-[(1R,2S,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-2-(acetyloxy)-2,3,3a,3b,4,5,6a,7a,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-1H,9H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]-
Acétate de (1R,2S,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-méthoxy-13a,15a-diméthyl-1-(5-oxo-2,5-dihydro-3-furanyl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octad écahydro-1H,7aH-cyclopenta[7,8]phénanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yle [French] [ACD/IUPAC Name]
elaeodendroside F
(1R,2S,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H
,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yl acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.7±6.0 kJ/mol
Flash Point: 230.1±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.90
ACD/KOC (pH 5.5): 1158.70
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.88
ACD/KOC (pH 7.4): 1158.48
Polar Surface Area: 130 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 420.6±5.0 cm3

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