Found 1 result

Search term: C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@@]4([C@](C)([C@H](O)C[C@H](CO)C(C)C)O)[H])=O)([H])C[C@@H](O)[C@@H](O)C1 (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,22R)-2,3,14,20,22,28-Hexahydroxyergost-7-en-6-one | C28H46O7

(2β,3β,5β,22R)-2,3,14,20,22,28-Hexahydroxyergost-7-en-6-one

  • Molecular FormulaC28H46O7
  • Average mass494.661 Da
  • Monoisotopic mass494.324341 Da
  • ChemSpider ID115267396

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,5β,22R)-2,3,14,20,22,28-Hexahydroxyergost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22,28-Hexahydroxyergost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22,28-Hexahydroxyergost-7-én-6-one [French] [ACD/IUPAC Name]
Ergost-7-en-6-one, 2,3,14,20,22,28-hexahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
2β,3β,14α,20R,22R,28-hexahydroxy-5β-ergost-7-en-6-one
Punicesterone F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 396.6±29.4 °C
Index of Refraction: 1.590
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 89.90
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 89.90
Polar Surface Area: 138 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 392.1±5.0 cm3

Click to predict properties on the Chemicalize site


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