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Search term: C1[C@]2([C@@H](C[C@H](C1)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(C[C@H]1[C@@H]2[C@@H]([C@@H](O1)[C@H]([C@H](C(C)(C)O)C)O)C)O)C)C (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | (3beta,5beta,22R,23S,24R)-3,14,23,25-Tetrahydroxy-24-methylfurost-7-en-6-one | C28H44O6

(3β,5β,22R,23S,24R)-3,14,23,25-Tetrahydroxy-24-methylfurost-7-en-6-one

  • Molecular FormulaC28H44O6
  • Average mass476.645 Da
  • Monoisotopic mass476.313782 Da
  • ChemSpider ID78440743
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(3β,5β,22R,23S,24R)-3,14,23,25-Tetrahydroxy-24-methylfurost-7-en-6-on [German] [ACD/IUPAC Name]
(3β,5β,22R,23S,24R)-3,14,23,25-Tetrahydroxy-24-methylfurost-7-en-6-one [ACD/IUPAC Name]
(3β,5β,22R,23S,24R)-3,14,23,25-Tétrahydroxy-24-méthylfurost-7-én-6-one [French] [ACD/IUPAC Name]
Furost-7-en-6-one, 3,14,23,25-tetrahydroxy-24-methyl-, (3β,5β,22α,23S,24R)- [ACD/Index Name]
(20S,22R,24R)-16,22-epoxy-3β,14α,23β,25-tetrahydroxyergost-7-en-6-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 214.4±25.0 °C
Index of Refraction: 1.584
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.50
ACD/KOC (pH 5.5): 258.84
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.50
ACD/KOC (pH 7.4): 258.84
Polar Surface Area: 107 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 385.4±5.0 cm3

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