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Search term: 20567917 (Found by CSID)
ChemSpider 2D Image | elaeodendroside T | C32H44O10

elaeodendroside T

  • Molecular FormulaC32H44O10
  • Average mass588.686 Da
  • Monoisotopic mass588.293457 Da
  • ChemSpider ID20567917

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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(1R,2S,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-11-methoxy-9,13a,15a-trimethyl-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-octadecahy dro-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,9R,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-11-methoxy-9,13a,15a-trimethyl-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-octadecahy dro-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,9R,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-9,13a,15a-trimethyl-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,9R,11R,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-9,13a,15a-trim ethyl-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,9R,11R,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-9,13a,15a-trimethyl-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,9R,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-méthoxy-9,13a,15a-triméthyl-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 -octadécahydro-1H,7aH-cyclopenta[7,8]phénanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yle [French] [ACD/IUPAC Name]
elaeodendroside T
(1R,2S,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-9,13a,15a-trimethyl-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-octadecahy
dro-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: 1.3±0.1 g/cm3
Boiling Point: 719.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 228.3±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 252.65
ACD/KOC (pH 5.5): 1825.30
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 252.61
ACD/KOC (pH 7.4): 1824.96
Polar Surface Area: 130 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 437.3±5.0 cm3

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