ChemSpider 2D Image | 2,19-Dihydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-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

2,19-Dihydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-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 ID22369974

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-2,6-dihydroxy-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl- [ACD/Index Name]
2,19-Dihydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-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]
2,19-Dihydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-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]
2,19-Dihydroxy-13,20-diméthoxy-4,7,17,22,22-pentaméthyl-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]
2,19-dihydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-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-014987
NCGC00381182-01C26H34O912H-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-2,6-dihydroxy-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 693.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 233.4±25.0 °C
Index of Refraction: 1.615
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.14
ACD/KOC (pH 5.5): 2059.84
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.14
ACD/KOC (pH 7.4): 2059.83
Polar Surface Area: 113 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 351.7±5.0 cm3

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