Found 1 result

Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2[C@@H](C[C@]2([C@]1(CC[C@@H]2[C@]1(O[C@@](C[C@H]1O)(C(C)C)CO)C)O)C)O)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,9xi,11alpha,22S,24xi)-2,3,11,14,22,28-Hexahydroxy-20,24-epoxyergost-7-en-6-one | C28H44O8

(2β,3β,5β,9ξ,11α,22S,24ξ)-2,3,11,14,22,28-Hexahydroxy-20,24-epoxyergost-7-en-6-one

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID28285225

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(2β,3β,5β,9ξ,11α,22S,24ξ)-2,3,11,14,22,28-Hexahydroxy-20,24-epoxyergost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,9ξ,11α,22S,24ξ)-2,3,11,14,22,28-Hexahydroxy-20,24-epoxyergost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,9ξ,11α,22S,24ξ)-2,3,11,14,22,28-Hexahydroxy-20,24-époxyergost-7-én-6-one [French] [ACD/IUPAC Name]
Ergost-7-en-6-one, 20,24-epoxy-2,3,11,14,22,28-hexahydroxy-, (2β,3β,5β,9ξ,11α,22S,24ξ)- [ACD/Index Name]
carthamoleusterone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 229.1±26.4 °C
Index of Refraction: 1.613
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 42.51
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 42.51
Polar Surface Area: 148 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

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