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@](C)([C@@H](CC(=C)C(C)(C)O)O)O)O)C)O)C (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | Atrotosterone C | C28H44O8

Atrotosterone C

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID10271965
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2β,3β,5β,11α,22R)-2,3,11,14,20,22,25-Heptahydroxyergosta-7,24(28)-dien-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,11α,22R)-2,3,11,14,20,22,25-Heptahydroxyergosta-7,24(28)-dien-6-one [ACD/IUPAC Name]
(2β,3β,5β,11α,22R)-2,3,11,14,20,22,25-Heptahydroxyergosta-7,24(28)-dién-6-one [French] [ACD/IUPAC Name]
Atrotosterone C
Ergosta-7,24(28)-dien-6-one, 2,3,11,14,20,22,25-heptahydroxy-, (2β,3β,5β,11α,22R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 750.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 421.4±29.4 °C
Index of Refraction: 1.612
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.84
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.01
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.01
Polar Surface Area: 159 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 384.3±5.0 cm3

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