ChemSpider 2D Image | (1S,4R,5'S,6'R,7R,8R,9S,10E,12E,14R,16E,19R,21R)-8,9-Dihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,6',14,16-pentamethyl-3',4',5',6'-tetrahydro-3H-spiro[2,20-dioxatricyclo[17.3.1.0~4,9~]tricosa-5,10,12,1 6-tetraene-21,2'-pyran]-3-one | C32H48O8

(1S,4R,5'S,6'R,7R,8R,9S,10E,12E,14R,16E,19R,21R)-8,9-Dihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,6',14,16-pentamethyl-3',4',5',6'-tetrahydro-3H-spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,1 6-tetraene-21,2'-pyran]-3-one

  • Molecular FormulaC32H48O8
  • Average mass560.719 Da
  • Monoisotopic mass560.334900 Da
  • ChemSpider ID8825876

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,4R,5'S,6'R,7R,8R,9S,10E,12E,14R,16E,19R,21R)-8,9-Dihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,6',14,16-pentamethyl-3',4',5',6'-tetrahydro-3H-spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,1 6-tetraene-21,2'-pyran]-3-one [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 227.6±26.4 °C
Index of Refraction: 1.566
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10351.46
ACD/KOC (pH 5.5): 26033.19
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10351.20
ACD/KOC (pH 7.4): 26032.53
Polar Surface Area: 115 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 467.4±5.0 cm3

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