Found 1 result

Search term: C1[C@]2([C@@H](CC(=O)C1)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)[C@@H](CCC(C)(C)O)O)O)C)C (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 3-Dehydro-2-deoxyecdysone | C27H42O5

3-Dehydro-2-deoxyecdysone

  • Molecular FormulaC27H42O5
  • Average mass446.619 Da
  • Monoisotopic mass446.303223 Da
  • ChemSpider ID30791927
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(5β,22R)-14,22,25-Trihydroxycholest-7-en-3,6-dion [German] [ACD/IUPAC Name]
(5β,22R)-14,22,25-Trihydroxycholest-7-ene-3,6-dione [ACD/IUPAC Name]
(5β,22R)-14,22,25-Trihydroxycholest-7-ène-3,6-dione [French] [ACD/IUPAC Name]
3-Dehydro-2-deoxyecdysone
Cholest-7-ene-3,6-dione, 14,22,25-trihydroxy-, (5β,22R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 338.9±28.0 °C
Index of Refraction: 1.564
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.81
ACD/KOC (pH 5.5): 537.64
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.80
ACD/KOC (pH 7.4): 537.64
Polar Surface Area: 95 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 379.2±5.0 cm3

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