ChemSpider 2D Image | 1-[3-Hydroxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-1,2,3,4,4',5,5',6,7,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-yl]-1-propanone (non-preferred name) | C29H46O4

1-[3-Hydroxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-1,2,3,4,4',5,5',6,7,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-yl]-1-propanone (non-preferred name)

  • Molecular FormulaC29H46O4
  • Average mass458.673 Da
  • Monoisotopic mass458.339600 Da
  • ChemSpider ID57971766

More details:

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

1-[3-Hydroxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-1,2,3,4,4',5,5',6,7,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-yl]-1-propanone (non-preferred name) [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: 575.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 181.8±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6217.35
ACD/KOC (pH 5.5): 18074.00
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6217.35
ACD/KOC (pH 7.4): 18074.00
Polar Surface Area: 67 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 404.2±5.0 cm3

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