ChemSpider 2D Image | (4E,11E,13Z,17R,17aS,19R,20aR,24aR)-6-hydroxy-5,9,17a,22-tetramethyl-6,7,9,10,17,17a,23,24-octahydro-3H,15H,19H,20aH-spiro[7,10-epoxy-17,19-methano[1,6,12]trioxacyclononadecino[3,4-d]chromene-18,2'-oxirane]-3,15-dione | C29H36O9

(4E,11E,13Z,17R,17aS,19R,20aR,24aR)-6-hydroxy-5,9,17a,22-tetramethyl-6,7,9,10,17,17a,23,24-octahydro-3H,15H,19H,20aH-spiro[7,10-epoxy-17,19-methano[1,6,12]trioxacyclononadecino[3,4-d]chromene-18,2'-oxirane]-3,15-dione

  • Molecular FormulaC29H36O9
  • Average mass528.591 Da
  • Monoisotopic mass528.235962 Da
  • ChemSpider ID23171086

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 10 defined stereocentres

More details:

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

(1'R,3'R,8'R,12'E,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]
(4E,11E,13Z,17R,17aS,19R,20aR,24aR)-6-hydroxy-5,9,17a,22-tetramethyl-6,7,9,10,17,17a,23,24-octahydro-3H,15H,19H,20aH-spiro[7,10-epoxy-17,19-methano[1,6,12]trioxacyclononadecino[3,4-d]chromene-18,2'-oxirane]-3,15-dione
roridin J

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

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


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