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](CC(=C)C(C)C)O)O)C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2β,3β,5β,22R)-2,3,14,22-Tetrahydroxyergosta-7,24(28)-dien-6-one | C28H44O5

(2β,3β,5β,22R)-2,3,14,22-Tetrahydroxyergosta-7,24(28)-dien-6-one

  • Molecular FormulaC28H44O5
  • Average mass460.646 Da
  • Monoisotopic mass460.318878 Da
  • ChemSpider ID23316674

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5β,22R)-2,3,14,22-Tetrahydroxyergosta-7,24(28)-dien-6-one
(2β,3β,5β,22R)-2,3,14,22-Tetrahydroxyergosta-7,24(28)-dien-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,22-Tetrahydroxyergosta-7,24(28)-dien-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,22-Tétrahydroxyergosta-7,24(28)-dién-6-one [French] [ACD/IUPAC Name]
141360-94-3 [RN]
Ergosta-7,24(28)-dien-6-one, 2,3,14,22-tetrahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
2β,3β,14α,22R-tetrahydroxy-5β-ergosta-7,24(28)-dien-6-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL409505/
Polyporusterone G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 337.9±28.0 °C
Index of Refraction: 1.571
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.21
ACD/KOC (pH 5.5): 817.15
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.21
ACD/KOC (pH 7.4): 817.15
Polar Surface Area: 98 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 392.4±5.0 cm3

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