Found 1 result

Search term: 78438444 (Found by CSID)
ChemSpider 2D Image | (3S,5S,9S,10R,13S,14S,17E)-10-(Hydroxymethyl)-13-methyl-17-(5-methyl-4-methylenehexylidene)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name) | C27H42O2

(3S,5S,9S,10R,13S,14S,17E)-10-(Hydroxymethyl)-13-methyl-17-(5-methyl-4-methylenehexylidene)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name)

  • Molecular FormulaC27H42O2
  • Average mass398.621 Da
  • Monoisotopic mass398.318481 Da
  • ChemSpider ID78438444

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,5S,9S,10R,13S,14S,17E)-10-(Hydroxymethyl)-13-methyl-17-(5-methyl-4-methylenehexylidene)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name) [ACD/IUPAC Name]
(3S,5S,9S,10R,13S,14S,17E)-10-(Hydroxyméthyl)-13-méthyl-17-(5-méthyl-4-méthylènehexylidène)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-ol (non-preferred name) [French] [ACD/IUPAC Name]
(3S,5S,9S,10R,13S,14S,17E)-10-(Hydroxymethyl)-13-methyl-17-(5-methyl-4-methylenhexyliden)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name) [German] [ACD/IUPAC Name]
Abscisterol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 220.4±24.7 °C
Index of Refraction: 1.556
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 46679.18
ACD/KOC (pH 5.5): 76514.00
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 46679.18
ACD/KOC (pH 7.4): 76514.00
Polar Surface Area: 40 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 375.8±5.0 cm3

Click to predict properties on the Chemicalize site


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