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(CC[C@@H]2[C@H](C)[C@H]1C(C(C(C)C)C)O1)O)C)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | Ergost-7-en-6-one, 22,23-epoxy-2,3,14-trihydroxy-, (2β,3β,5β,22S,23S)- | C28H44O5

Ergost-7-en-6-one, 22,23-epoxy-2,3,14-trihydroxy-, (2β,3β,5β,22S,23S)-

  • Molecular FormulaC28H44O5
  • Average mass460.646 Da
  • Monoisotopic mass460.318878 Da
  • ChemSpider ID24698446

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2β,3β,5β,22S,23S)-2,3,14-Trihydroxy-22,23-epoxyergost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22S,23S)-2,3,14-Trihydroxy-22,23-epoxyergost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22S,23S)-2,3,14-Trihydroxy-22,23-époxyergost-7-én-6-one [French] [ACD/IUPAC Name]
141360-92-1 [RN]
Ergost-7-en-6-one, 22,23-epoxy-2,3,14-trihydroxy-, (2β,3β,5β,22S,23S)-
Ergost-7-en-6-one, 22,23-epoxy-2,3,14-trihydroxy-, (2β,3β,5β,22S,23S)- [ACD/Index Name]
22,23-epoxy-2β,3β,14α,trihydroxy-5β-ergosta-7-en-6-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479334/
Polyporusterone E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 189.8±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.75
ACD/KOC (pH 5.5): 1447.57
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.75
ACD/KOC (pH 7.4): 1447.57
Polar Surface Area: 90 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 388.4±5.0 cm3

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