ChemSpider 2D Image | Austinol | C25H30O8

Austinol

  • Molecular FormulaC25H30O8
  • Average mass458.501 Da
  • Monoisotopic mass458.194061 Da
  • ChemSpider ID28184632

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,5S,8R,9R,12S,13S)-8,12-Dihydroxy-2,2',2',6,9,13-hexamethyl-16-methylene-6'H,11H-spiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-pyran]-6',11,15-trione [ACD/IUPAC Name]
Austinol
(3S,3aS,6R,7R,9S,11aR,11bS)-3a,7-dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylene-3,3a,6,7,11,11a-hexahydro-4H,6'H,10H-spiro[6,11b-methanofuro[3,4-e][3]benzoxocin-9,3'-pyran]-1,4,6'-trione
72040-27-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 246.0±26.4 °C
Index of Refraction: 1.608
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.77
ACD/KOC (pH 5.5): 696.53
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.66
ACD/KOC (pH 7.4): 695.44
Polar Surface Area: 119 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 333.0±5.0 cm3

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