ChemSpider 2D Image | 21-deacetyl-raspacionin | C32H54O6

21-deacetyl-raspacionin

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID10475037

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,5aS,6S,7R,9aS)-3-Hydroxy-6-{2-[(3S,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylendecahydro-1-benzoxepin-6-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-7-yl-acetat [German] [ACD/IUPAC Name]
(3S,5aS,6S,7R,9aS)-3-Hydroxy-6-{2-[(3S,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylenedecahydro-1-benzoxepin-6-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-7-yl acetate [ACD/IUPAC Name]
1-Benzoxepin-3,7-diol, 6-[2-[(3S,5aS,6R,9aS)-decahydro-3-hydroxy-2,2,5a-trimethyl-7-methylene-1-benzoxepin-6-yl]ethyl]decahydro-2,2,5a,7-tetramethyl-, 7-acetate, (3S,5aS,6S,7R,9aS)- [ACD/Index Name]
21-deacetyl-raspacionin
Acétate de (3S,5aS,6S,7R,9aS)-3-hydroxy-6-{2-[(3S,5aS,6R,9aS)-3-hydroxy-2,2,5a-triméthyl-7-méthylènedécahydro-1-benzoxépin-6-yl]éthyl}-2,2,5a,7-tétraméthyldécahydro-1-benzoxépin-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 603.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 181.2±25.0 °C
Index of Refraction: 1.528
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32486.94
ACD/KOC (pH 5.5): 59028.97
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32486.94
ACD/KOC (pH 7.4): 59028.97
Polar Surface Area: 85 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 486.5±5.0 cm3

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