ChemSpider 2D Image | (3alpha,5beta,9beta,10alpha,13alpha,15R)-3,15-Dihydroxypimar-8(14)-en-16-yl acetate | C22H36O4

(3α,5β,9β,10α,13α,15R)-3,15-Dihydroxypimar-8(14)-en-16-yl acetate

  • Molecular FormulaC22H36O4
  • Average mass364.519 Da
  • Monoisotopic mass364.261353 Da
  • ChemSpider ID28424363

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-2-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-Ddodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxyethyl acetate
(3α,5β,9β,10α,13α,15R)-3,15-Dihydroxypimar-8(14)-en-16-yl acetate [ACD/IUPAC Name]
(3α,5β,9β,10α,13α,15R)-3,15-Dihydroxypimar-8(14)-en-16-yl-acetat [German] [ACD/IUPAC Name]
1,2-Ethanediol, 1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-, 2-acetate, (1R)- [ACD/Index Name]
1188282-01-0 [RN]
Acétate de (3α,5β,9β,10α,13α,15R)-3,15-dihydroxypimar-8(14)-én-16-yle [French] [ACD/IUPAC Name]
[1188282-01-0] [RN]
16-O-Acetyldarutigenol
MFCD20260546

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

Density: 1.1±0.1 g/cm3
Boiling Point: 490.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 162.3±22.2 °C
Index of Refraction: 1.536
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3423.95
ACD/KOC (pH 5.5): 11792.58
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3423.95
ACD/KOC (pH 7.4): 11792.58
Polar Surface Area: 67 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 328.2±5.0 cm3

Click to predict properties on the Chemicalize site


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