Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | (1R,2S,3aS,3bR,6aR,7aS,10aR,13aR,14aR,15aR,17aR)-3a-Hydroxy-15a,17a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17,17a-hexadecahydro-1H,9H-cyclopenta[7,8]phenant hro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4]dioxin-2-yl acetate | C31H40O10

(1R,2S,3aS,3bR,6aR,7aS,10aR,13aR,14aR,15aR,17aR)-3a-Hydroxy-15a,17a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17,17a-hexadecahydro-1H,9H-cyclopenta[7,8]phenant hro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4]dioxin-2-yl acetate

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID8161104

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1R,2S,3aS,3bR,6aR,7aS,10aR,13aR,14aR,15aR,17aR)-3a-Hydroxy-15a,17a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17,17a-hexadecahydro-1H,9H-cyclopenta[7,8]phenant hro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4]dioxin-2-yl acetate [ACD/IUPAC Name]
(1R,2S,3aS,3bR,6aR,7aS,10aR,13aR,14aR,15aR,17aR)-3a-Hydroxy-15a,17a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17,17a-hexadecahydro-1H,9H-cyclopenta[7,8]phenant hro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4]dioxin-2-yl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 4-[(1R,2S,3aS,3bR,6aR,7aS,10aR,13aR,14aR,15aR,17aR)-2-(acetyloxy)-2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17,17a-hexadecahydro-3a-hydroxy-15a,17a-dimethyl-1H,7aH,9H-cyclopenta[7,8]ph enanthro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4]dioxin-1-yl]- [ACD/Index Name]
Acétate de (1R,2S,3aS,3bR,6aR,7aS,10aR,13aR,14aR,15aR,17aR)-3a-hydroxy-15a,17a-diméthyl-1-(5-oxo-2,5-dihydro-3-furanyl)-2,3,3a,3b,4,5,6a,10,10a,14a,15,15a,15b,16,17,17a-hexadécahydro-1H,9H-cyclopenta[ 7,8]phénanthro[2,3-b][1,3]dioxolo[3,4]pyrano[3,2-e][1,4]dioxin-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.0±6.0 kJ/mol
Flash Point: 225.4±25.0 °C
Index of Refraction: 1.610
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 608.79
ACD/KOC (pH 5.5): 3425.51
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 608.79
ACD/KOC (pH 7.4): 3425.51
Polar Surface Area: 119 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 410.6±5.0 cm3

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