ChemSpider 2D Image | (1S,17S)-3-Hydroxy-7-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0~2,15~.0~4,13~.0~6,11~]henicosa-2(15),3,6,8,10,13-hexaen-5-one | C20H18O6

(1S,17S)-3-Hydroxy-7-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one

  • Molecular FormulaC20H18O6
  • Average mass354.353 Da
  • Monoisotopic mass354.110352 Da
  • ChemSpider ID29213881

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,17S)-3-Hydroxy-7-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-on [German] [ACD/IUPAC Name]
(1S,17S)-3-Hydroxy-7-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one [ACD/IUPAC Name]
(1S,17S)-3-Hydroxy-7-méthoxy-17-méthyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]hénicosa-2(15),3,6,8,10,13-hexaén-5-one [French] [ACD/IUPAC Name]
2,6-Epoxy-2H,8H-oxocino[3,2-b]xanthen-8-one, 3,4,5,6-tetrahydro-7-hydroxy-9-methoxy-2-methyl-, (2S,6S)- [ACD/Index Name]
CHAETOXANTHONE B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 188.4±23.6 °C
Index of Refraction: 1.639
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 250.80
ACD/KOC (pH 5.5): 1763.94
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 29.36
ACD/KOC (pH 7.4): 206.49
Polar Surface Area: 74 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 253.9±3.0 cm3

Click to predict properties on the Chemicalize site


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