ChemSpider 2D Image | (1'R,3'R,8'R,12'Z,19'E,21'Z,25'R,26'S)-14'-Hydroxy-5',13',17',26'-tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.1~15,18~.0~3,8~.0~8,26~]nonacosa[4,12,19,21]tetraen e]-11',23'-dione | C29H36O9

(1'R,3'R,8'R,12'Z,19'E,21'Z,25'R,26'S)-14'-Hydroxy-5',13',17',26'-tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa[4,12,19,21]tetraen e]-11',23'-dione

  • Molecular FormulaC29H36O9
  • Average mass528.591 Da
  • Monoisotopic mass528.235962 Da
  • ChemSpider ID16738382

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(1'R,3'R,8'R,12'Z,19'E,21'Z,25'R,26'S)-14'-Hydroxy-5',13',17',26'-tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa[4,12,19,21]tetraen e]-11',23'-dione [ACD/IUPAC Name]
roridin J

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 769.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.7±6.0 kJ/mol
Flash Point: 254.8±26.4 °C
Index of Refraction: 1.600
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.14
ACD/KOC (pH 5.5): 298.62
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.14
ACD/KOC (pH 7.4): 298.62
Polar Surface Area: 113 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 395.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement