Found 1 result

Search term: 78441090 (Found by CSID)
ChemSpider 2D Image | (3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2R)-6-hydroxy-4-oxo-2-heptanyl]-4,4,10,13,14-pentamethyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one (no n-preferred name) | C29H46O6

(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2R)-6-hydroxy-4-oxo-2-heptanyl]-4,4,10,13,14-pentamethyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one (no n-preferred name)

  • Molecular FormulaC29H46O6
  • Average mass490.672 Da
  • Monoisotopic mass490.329437 Da
  • ChemSpider ID78441090

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2R)-6-hydroxy-4-oxo-2-heptanyl]-4,4,10,13,14-pentamethyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-on (non -preferred name) [German] [ACD/IUPAC Name]
(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2R)-6-hydroxy-4-oxo-2-heptanyl]-4,4,10,13,14-pentamethyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one (no n-preferred name) [ACD/IUPAC Name]
(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2R)-6-hydroxy-4-oxo-2-heptanyl]-4,4,10,13,14-pentaméthyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tétradécahydro-11H-cyclopenta[a]phénanthrén-11-one (no n-preferred name) [French] [ACD/IUPAC Name]
26-nor-11,23-dioxo-5α-lanost-8-en-3β,7β,15α,25-tetrol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 362.9±28.0 °C
Index of Refraction: 1.567
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.24
ACD/KOC (pH 5.5): 541.26
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.24
ACD/KOC (pH 7.4): 541.26
Polar Surface Area: 115 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 409.8±5.0 cm3

Click to predict properties on the Chemicalize site


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