Found 1 result

Search term: 29212470 (Found by CSID)
ChemSpider 2D Image | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-Ethyl-5-methyl-6-hepten-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | C29H48O

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-Ethyl-5-methyl-6-hepten-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

  • Molecular FormulaC29H48O
  • Average mass412.691 Da
  • Monoisotopic mass412.370514 Da
  • ChemSpider ID29212470

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-Ethyl-5-methyl-6-hepten-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-Ethyl-5-methyl-6-hepten-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol [German] [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-Éthyl-5-méthyl-6-heptén-2-yl]-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-ol [French] [ACD/IUPAC Name]
23-ethyl-24-methyl-27-norcholesta-5,25-dien-3β-ol
ficisterol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 499.2±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 218.8±12.4 °C
Index of Refraction: 1.527
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 10.22
ACD/LogD (pH 5.5): 8.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1753085.25
ACD/LogD (pH 7.4): 8.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1753085.25
Polar Surface Area: 20 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 419.6±5.0 cm3

Click to predict properties on the Chemicalize site


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