ChemSpider 2D Image | elaeodendroside B | C29H40O8

elaeodendroside B

  • Molecular FormulaC29H40O8
  • Average mass516.623 Da
  • Monoisotopic mass516.272339 Da
  • ChemSpider ID23284659

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

2(5H)-Furanone, 4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-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,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-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]-
4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-11-methoxy-13a,15a-dimethyl-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-1-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-11-methoxy-13a,15a-dimethyl-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-1-yl]-2(5H)-furanone [ACD/IUPAC Name]
4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-11-méthoxy-13a,15a-diméthyl-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadécahydro-1H,7aH-cyclopenta[7,8]phénanthro[2 ,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-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-1-yl]furan-2(5H)-one
elaeodendroside B
,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]furan-2(5H)-one
4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-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
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388773/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 225.8±25.0 °C
Index of Refraction: 1.608
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 330.75
ACD/KOC (pH 5.5): 2213.43
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 330.69
ACD/KOC (pH 7.4): 2213.02
Polar Surface Area: 104 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 385.2±5.0 cm3

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