ChemSpider 2D Image | (1aR,1bR,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b-Hydroxy-5a,7a-dimethyl(3',3',4',4'-~2~H_4_)hexadecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'(2H,4'H)-dione | C24H28D4O4

(1aR,1bR,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b-Hydroxy-5a,7a-dimethyl(3',3',4',4'-2H4)hexadecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'(2H,4'H)-dione

  • Molecular FormulaC24H28D4O4
  • Average mass388.533 Da
  • Monoisotopic mass388.255157 Da
  • ChemSpider ID58782714

  • defined stereocentres - 10 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1aR,1bR,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b-Hydroxy-5a,7a-dimethyl(3',3',4',4'-2H4)hexadecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'(2H,4'H)-dione [ACD/IUPAC Name]
Spiro[8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'(5'H)-furan]-3,5'(2H)-dione-3',3',4',4'-d4, octadecahydro-1b-hydroxy-5a,7a-dimethyl-, (1aR,1bR,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR) - [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 196.2±23.6 °C
Index of Refraction: 1.613
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.15
ACD/KOC (pH 5.5): 444.82
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.15
ACD/KOC (pH 7.4): 444.82
Polar Surface Area: 64 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 293.9±5.0 cm3

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