Found 1 result

Search term: RIXSRYMAYVRUPP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,10S)-16-Acetyl-9-methoxy-15-methyl-4-phenyl-3,5,8,13,14-pentaoxatetracyclo[8.3.3.0~1,10~.0~2,7~]hexadec-15-en-12-one | C21H22O8

(1R,10S)-16-Acetyl-9-methoxy-15-methyl-4-phenyl-3,5,8,13,14-pentaoxatetracyclo[8.3.3.01,10.02,7]hexadec-15-en-12-one

  • Molecular FormulaC21H22O8
  • Average mass402.395 Da
  • Monoisotopic mass402.131470 Da
  • ChemSpider ID30651228

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(1R,10S)-16-Acetyl-9-methoxy-15-methyl-4-phenyl-3,5,8,13,14-pentaoxatetracyclo[8.3.3.01,10.02,7]hexadec-15-en-12-on [German] [ACD/IUPAC Name]
(1R,10S)-16-Acetyl-9-methoxy-15-methyl-4-phenyl-3,5,8,13,14-pentaoxatetracyclo[8.3.3.01,10.02,7]hexadec-15-en-12-one [ACD/IUPAC Name]
(1R,10S)-16-Acétyl-9-méthoxy-15-méthyl-4-phényl-3,5,8,13,14-pentaoxatétracyclo[8.3.3.01,10.02,7]hexadéc-15-én-12-one [French] [ACD/IUPAC Name]
4H,6H-9a,6a-(Epoxyethano)furo[2',3':4,5]pyrano[3,2-d]-1,3-dioxin-11-one, 7-acetyl-4a,9b-dihydro-6-methoxy-8-methyl-2-phenyl-, (6aS,9aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 273.5±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 285.69
ACD/KOC (pH 5.5): 1993.14
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 285.69
ACD/KOC (pH 7.4): 1993.14
Polar Surface Area: 90 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 286.9±5.0 cm3

Click to predict properties on the Chemicalize site


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