Found 6 results

Search term: NHOVENLMJPWCSK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,3aR,3bR,5aS,7R,9aS,10aR,12aS)-3a,6,6,12a-Tetramethyl-1-{(2S)-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-2-butanyl}tetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol (non-preferred na me) | C33H56O3

(1S,3aR,3bR,5aS,7R,9aS,10aR,12aS)-3a,6,6,12a-Tetramethyl-1-{(2S)-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-2-butanyl}tetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol (non-preferred na me)

  • Molecular FormulaC33H56O3
  • Average mass500.796 Da
  • Monoisotopic mass500.422943 Da
  • ChemSpider ID82964169

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3aR,3bR,5aS,7R,9aS,10aR,12aS)-3a,6,6,12a-Tetramethyl-1-{(2S)-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-2-butanyl}tetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol (non-preferred na me) [German] [ACD/IUPAC Name]
(1S,3aR,3bR,5aS,7R,9aS,10aR,12aS)-3a,6,6,12a-Tetramethyl-1-{(2S)-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-2-butanyl}tetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol (non-preferred na me) [ACD/IUPAC Name]
(1S,3aR,3bR,5aS,7R,9aS,10aR,12aS)-3a,6,6,12a-Tétraméthyl-1-{(2S)-4-[(4R)-2,2,5,5-tétraméthyl-1,3-dioxolan-4-yl]-2-butanyl}tétradécahydro-1H-cyclopenta[a]cyclopropa[e]phénanthrén-7-ol (non-preferred na me) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 287.9±23.2 °C
Index of Refraction: 1.539
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.64
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1355970.75
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1355970.75
Polar Surface Area: 39 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 470.7±5.0 cm3

Click to predict properties on the Chemicalize site


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