ChemSpider 2D Image | (4R,4'R,6'R,10'R)-1'-Hydroxy-4,4',6',12',17',17'-hexamethyl-3,4-dihydro-5H,19'H-spiro[furan-2,8'-[9,18,24]trioxapentacyclo[19.2.1.0~4,12~.0~5,10~.0~16,22~]tetracosa[20,22]diene]-5,19'-dione | C30H42O7

(4R,4'R,6'R,10'R)-1'-Hydroxy-4,4',6',12',17',17'-hexamethyl-3,4-dihydro-5H,19'H-spiro[furan-2,8'-[9,18,24]trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa[20,22]diene]-5,19'-dione

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID5143673

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(4R,4'R,6'R,10'R)-1'-Hydroxy-4,4',6',12',17',17'-hexamethyl-3,4-dihydro-5H,19'H-spiro[furan-2,8'-[9,18,24]trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa[20,22]diene]-5,19'-dione [ACD/IUPAC Name]
Pseudolarolide F

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

NCI60_010050 [DBID]
NSC630840 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 222.9±25.0 °C
Index of Refraction: 1.577
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.94
ACD/KOC (pH 5.5): 1448.65
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.93
ACD/KOC (pH 7.4): 1448.59
Polar Surface Area: 91 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

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