ChemSpider 2D Image | (1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-2,4,10-Trihydroxy-1,7,16-trimethyl-13,17-dioxapentacyclo[9.5.2.0~3,14~.0~5,18~.0~14,18~]octadec-10-ene-6,12-dione | C19H24O7

(1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-2,4,10-Trihydroxy-1,7,16-trimethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione

  • Molecular FormulaC19H24O7
  • Average mass364.390 Da
  • Monoisotopic mass364.152191 Da
  • ChemSpider ID35516766

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-2,4,10-Trihydroxy-1,7,16-trimethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-en-6,12-dion [German] [ACD/IUPAC Name]
(1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-2,4,10-Trihydroxy-1,7,16-trimethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione [ACD/IUPAC Name]
(1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-2,4,10-Trihydroxy-1,7,16-triméthyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadéc-10-ène-6,12-dione [French] [ACD/IUPAC Name]
3,12b-Epoxy-12bH-12-oxabenzo[g]cycloocta[cd]pentalene-6,11(1H,7H)-dione, 2,3,4,4a,5,5a,8,9-octahydro-4,5,10-trihydroxy-2,3,7-trimethyl-, (2S,3S,4S,4aS,5S,5aR,7S,10Z,12aS,12bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 237.4±25.0 °C
Index of Refraction: 1.638
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.93
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 243.4±5.0 cm3

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