Found 1 result

Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(C[C@H]1[C@@H]2[C@@]([C@@H](O1)[C@H](C(C(C)C)C)O)(C)O)O)C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2beta,3beta,5beta,22S,23S)-2,3,14,20,23-Pentahydroxy-24-methylfurost-7-en-6-one | C28H44O7

(2β,3β,5β,22S,23S)-2,3,14,20,23-Pentahydroxy-24-methylfurost-7-en-6-one

  • Molecular FormulaC28H44O7
  • Average mass492.645 Da
  • Monoisotopic mass492.308716 Da
  • ChemSpider ID28942433

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(2β,3β,5β,22S,23S)-2,3,14,20,23-Pentahydroxy-24-methylfurost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22S,23S)-2,3,14,20,23-Pentahydroxy-24-methylfurost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22S,23S)-2,3,14,20,23-Pentahydroxy-24-méthylfurost-7-én-6-one [French] [ACD/IUPAC Name]
Furost-7-en-6-one, 2,3,14,20,23-pentahydroxy-24-methyl-, (2β,3β,5β,22α,23S)- [ACD/Index Name]
Polyporoid A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 216.4±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.07
ACD/KOC (pH 5.5): 194.60
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.07
ACD/KOC (pH 7.4): 194.60
Polar Surface Area: 127 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 383.3±5.0 cm3

Click to predict properties on the Chemicalize site


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