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Search term: C1[C@]2([C@@H](C[C@H]([C@H]1OC(=O)C)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O)C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-O-Acetyl-20-hydroxyecdysone | C29H46O8

2-O-Acetyl-20-hydroxyecdysone

  • Molecular FormulaC29H46O8
  • Average mass522.671 Da
  • Monoisotopic mass522.319275 Da
  • ChemSpider ID9235564

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-8-yl acetate
(2β,3β,5β,22R)-3,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-2-yl acetate [ACD/IUPAC Name]
(2β,3β,5β,22R)-3,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-2-yl-acetat [German] [ACD/IUPAC Name]
19536-25-5 [RN]
2-O-Acetyl-20-hydroxyecdysone
Acétate de (2β,3β,5β,22R)-3,14,20,22,25-pentahydroxy-6-oxocholest-7-én-2-yle [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2-(acetyloxy)-3,14,20,22,25-pentahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
(2β,3β,5β,22R)-2-(acetyloxy)-3,14,20,22,25-pentahydroxy-cholest-7-en-6-one
(2β,3β,5β,22R)-2-(acetyloxy)-3,14,20,22,25-pentahydroxy-cholest-7-en-6-one
ECDYSONE-2-ACETATE, β-(SH)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 226.9±26.4 °C
Index of Refraction: 1.580
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.25
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 64.15
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 64.15
Polar Surface Area: 145 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

Click to predict properties on the Chemicalize site


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