ChemSpider 2D Image | (1S,2S,15S,16R,17R,22R)-9-Acetyl-8,15-dihydroxy-10-methoxy-17,21,21-trimethyl-3,13,25-trioxaheptacyclo[13.9.2.0~1,16~.0~2,14~.0~5,14~.0~7,12~.0~17,22~]hexacosa-5,7,9,11-tetraene-4,26-dione | C29H32O9

(1S,2S,15S,16R,17R,22R)-9-Acetyl-8,15-dihydroxy-10-methoxy-17,21,21-trimethyl-3,13,25-trioxaheptacyclo[13.9.2.01,16.02,14.05,14.07,12.017,22]hexacosa-5,7,9,11-tetraene-4,26-dione

  • Molecular FormulaC29H32O9
  • Average mass524.559 Da
  • Monoisotopic mass524.204651 Da
  • ChemSpider ID9866901

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,2S,15S,16R,17R,22R)-9-Acetyl-8,15-dihydroxy-10-methoxy-17,21,21-trimethyl-3,13,25-trioxaheptacyclo[13.9.2.01,16.02,14.05,14.07,12.017,22]hexacosa-5,7,9,11-tetraen-4,26-dion [German] [ACD/IUPAC Name]
(1S,2S,15S,16R,17R,22R)-9-Acetyl-8,15-dihydroxy-10-methoxy-17,21,21-trimethyl-3,13,25-trioxaheptacyclo[13.9.2.01,16.02,14.05,14.07,12.017,22]hexacosa-5,7,9,11-tetraene-4,26-dione [ACD/IUPAC Name]
(1S,2S,15S,16R,17R,22R)-9-Acétyl-8,15-dihydroxy-10-méthoxy-17,21,21-triméthyl-3,13,25-trioxaheptacyclo[13.9.2.01,16.02,14.05,14.07,12.017,22]hexacosa-5,7,9,11-tétraène-4,26-dione [French] [ACD/IUPAC Name]
6bH-6a,15-(Epoxymethano)-8H-benz[4',5']indeno[1',2':2,3]furo[3,4-b][1]benzopyran-8,16-dione, 11-acetyl-1,2,3,4,4a,5,6,15,15a,15b-decahydro-10,15-dihydroxy-12-methoxy-4,4,15b-trimethyl-, (4aR,6aS,6bS,1 5S,15aR,15bR)- [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: 773.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 259.3±26.4 °C
Index of Refraction: 1.657
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19967.60
ACD/KOC (pH 5.5): 41637.75
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17027.13
ACD/KOC (pH 7.4): 35506.10
Polar Surface Area: 129 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 356.4±5.0 cm3

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