ChemSpider 2D Image | (1S,2S,4R,5S,6S,9S,10S,11R,13R,18S,20R)-6-(3-Furyl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0~1,13~.0~2,10~.0~5,9~]icosane-4,20-diyl diacetate | C30H38O11

(1S,2S,4R,5S,6S,9S,10S,11R,13R,18S,20R)-6-(3-Furyl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosane-4,20-diyl diacetate

  • Molecular FormulaC30H38O11
  • Average mass574.616 Da
  • Monoisotopic mass574.241394 Da
  • ChemSpider ID112727

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(1S,2S,4R,5S,6S,9S,10S,11R,13R,18S,20R)-6-(3-Furyl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-4,20-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,2S,4R,5S,6S,9S,10S,11R,13R,18S,20R)-6-(3-Furyl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosane-4,20-diyl diacetate [ACD/IUPAC Name]
4H-1,4a-Propanocyclopenta[5,6]naphtho[1,2-c]pyran-5,9(2H,6H)-dione, 6,14-bis(acetyloxy)-7-(3-furanyl)decahydro-2,10,12-trihydroxy-1,6a,9b-trimethyl-, (4aS,4bS,6R,6aS,7S,9aS,9bS,10R,11aR,12S,14R)- [ACD/Index Name]
Diacétate de (1S,2S,4R,5S,6S,9S,10S,11R,13R,18S,20R)-6-(3-furyl)-11,15,18-trihydroxy-5,10,14-triméthyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosane-4,20-diyle [French] [ACD/IUPAC Name]
24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-21,23-epoxy-1,7,19-trihydroxy-4,8-dimethyl-11,15-dioxo-, cyclic 4,19-hemiacetal, (1α,3α,4β,5α,7α,12α,13α,17α)-
97871-44-8 [RN]
Isochuanliansu

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 387.1±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.27
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.27
Polar Surface Area: 170 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 405.9±5.0 cm3

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