Found 13 results

Search term: MF = 'C_{33}H_{51}NO_{8}'
ChemSpider 2D Image | (3S,5S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-{(2R)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1-oxo-2-propanyl}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy }hexadecahydro-6H-cyclopenta[a]phenanthren-6-one | C33H51NO8

(3S,5S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-{(2R)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1-oxo-2-propanyl}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy }hexadecahydro-6H-cyclopenta[a]phenanthren-6-one

  • Molecular FormulaC33H51NO8
  • Average mass589.760 Da
  • Monoisotopic mass589.361450 Da
  • ChemSpider ID8275470

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3S,5S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-{(2R)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1-oxo-2-propanyl}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy }hexadecahydro-6H-cyclopenta[a]phenanthren-6-on [German] [ACD/IUPAC Name]
(3S,5S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-{(2R)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1-oxo-2-propanyl}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy }hexadecahydro-6H-cyclopenta[a]phenanthren-6-one [ACD/IUPAC Name]
(3S,5S,8S,9S,10R,13S,14S,17R)-10,13-Diméthyl-17-{(2R)-1-[(3R)-3-méthyl-3,4-dihydro-2H-pyrrol-5-yl]-1-oxo-2-propanyl}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy }hexadécahydro-6H-cyclopenta[a]phénanthrén-6-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 737.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 400.0±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 150.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 48.24
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.88
ACD/KOC (pH 7.4): 164.57
Polar Surface Area: 146 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 400.4±7.0 cm3

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