ChemSpider 2D Image | 2-Hydroxy-22-(hydroxymethyl)-13,20-dimethoxy-4,7,17,22-tetramethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0~1,17~.0~4,16~.0~6,14~.0~8,12~]tricosa-6(14),7,12-trien-11-one | C26H34O9

2-Hydroxy-22-(hydroxymethyl)-13,20-dimethoxy-4,7,17,22-tetramethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one

  • Molecular FormulaC26H34O9
  • Average mass490.543 Da
  • Monoisotopic mass490.220276 Da
  • ChemSpider ID29814009

More details:

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

12H-3,5a-Epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,2,3,6,7,7a,10,14,14a,14b-decahydro-6-hydroxy-5-(hydroxymethyl)-3,13-dimethoxy-5,7a,9,14b-tetramethyl- [ACD/Index Name]
2-Hydroxy-22-(hydroxymethyl)-13,20-dimethoxy-4,7,17,22-tetramethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-on [German] [ACD/IUPAC Name]
2-Hydroxy-22-(hydroxymethyl)-13,20-dimethoxy-4,7,17,22-tetramethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one [ACD/IUPAC Name]
2-Hydroxy-22-(hydroxyméthyl)-13,20-diméthoxy-4,7,17,22-tétraméthyl-5,10,21,23-tétraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trién-11-one [French] [ACD/IUPAC Name]
2-hydroxy-22-(hydroxymethyl)-13,20-dimethoxy-4,7,17,22-tetramethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one
Compound NP-002155
NCGC00380890-01C26H34O912H-3,5a-Epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,2,3,6,7,7a,10,14,14a,14b-decahydro-6-hydroxy-5-(hydroxymethyl)-3,13-dimethoxy-5,7a,9,14b-tetramethyl-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 235.6±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 283.94
ACD/KOC (pH 5.5): 1984.39
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 283.94
ACD/KOC (pH 7.4): 1984.39
Polar Surface Area: 113 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

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