ChemSpider 2D Image | Isopropyl (6R,7S,8R,9S,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate | C26H36O6

Isopropyl (6R,7S,8R,9S,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

  • Molecular FormulaC26H36O6
  • Average mass444.560 Da
  • Monoisotopic mass444.251190 Da
  • ChemSpider ID34258780

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Isopropyl (6R,7S,8R,9S,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-7-carboxylic acid, 1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-6-hydroxy-10,13-dimethyl-3,5'-dioxo-, 1-methylethyl ester, (6R,7S,8R,9S, 10R,13S,14S,17R)- [ACD/Index Name]
61237-95-4 [RN]

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

SC 30822 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 206.6±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.80
ACD/KOC (pH 5.5): 385.69
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.80
ACD/KOC (pH 7.4): 385.69
Polar Surface Area: 90 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 358.8±5.0 cm3

Click to predict properties on the Chemicalize site


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