Found 1 result

Search term: 29215711 (Found by CSID)
ChemSpider 2D Image | (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-{(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]-2-hexanyl}hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol | C29H50O

(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-{(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]-2-hexanyl}hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol

  • Molecular FormulaC29H50O
  • Average mass414.707 Da
  • Monoisotopic mass414.386169 Da
  • ChemSpider ID29215711

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-{(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]-2-hexanyl}hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol [ACD/IUPAC Name]
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-{(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]-2-hexanyl}hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol [German] [ACD/IUPAC Name]
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Diméthyl-17-{(2R,5R)-5-[(1R,2R)-2-méthylcyclopropyl]-2-hexanyl}hexadécahydro-1H-cyclopenta[a]phénanthrén-3-ol [French] [ACD/IUPAC Name]
(25R)-24R,26R-dimethyl-26,27-cyclo-5α-cholestan-3β-ol
petrostanol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 473.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 197.8±12.3 °C
Index of Refraction: 1.519
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.55
ACD/LogD (pH 5.5): 9.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2216208.50
ACD/LogD (pH 7.4): 9.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2216208.50
Polar Surface Area: 20 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 420.0±3.0 cm3

Click to predict properties on the Chemicalize site


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