ChemSpider 2D Image | (1S,4R,5S,6R,8S,11R,16E,18S,20R,22E,24S,25S)-4,5,15,18-Tetrahydroxy-6,8,11,20,22,24,25-heptamethyl-9,27-dioxabicyclo[22.2.1]heptacosa-16,22-diene-3,10-dione | C32H54O8

(1S,4R,5S,6R,8S,11R,16E,18S,20R,22E,24S,25S)-4,5,15,18-Tetrahydroxy-6,8,11,20,22,24,25-heptamethyl-9,27-dioxabicyclo[22.2.1]heptacosa-16,22-diene-3,10-dione

  • Molecular FormulaC32H54O8
  • Average mass566.766 Da
  • Monoisotopic mass566.381897 Da
  • ChemSpider ID20574260

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

Featured data source
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(1S,4R,5S,6R,8S,11R,16E,18S,20R,22E,24S,25S)-4,5,15,18-Tetrahydroxy-6,8,11,20,22,24,25-heptamethyl-9,27-dioxabicyclo[22.2.1]heptacosa-16,22-dien-3,10-dion [German] [ACD/IUPAC Name]
(1S,4R,5S,6R,8S,11R,16E,18S,20R,22E,24S,25S)-4,5,15,18-Tetrahydroxy-6,8,11,20,22,24,25-heptamethyl-9,27-dioxabicyclo[22.2.1]heptacosa-16,22-diene-3,10-dione [ACD/IUPAC Name]
(1S,4R,5S,6R,8S,11R,16E,18S,20R,22E,24S,25S)-4,5,15,18-Tétrahydroxy-6,8,11,20,22,24,25-heptaméthyl-9,27-dioxabicyclo[22.2.1]heptacosa-16,22-diène-3,10-dione [French] [ACD/IUPAC Name]
amphidinolactone B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 722.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 222.2±26.4 °C
Index of Refraction: 1.484
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 417.08
ACD/KOC (pH 5.5): 2613.12
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 417.08
ACD/KOC (pH 7.4): 2613.10
Polar Surface Area: 134 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 542.3±3.0 cm3

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