ChemSpider 2D Image | (3'R,4'S,4aR,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-3',4',7-Trihydroxy-1,1,4',7a,8,12a-hexamethyloctadecahydro-2H,3'H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-furan]-2-on e | C30H46O6

(3'R,4'S,4aR,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-3',4',7-Trihydroxy-1,1,4',7a,8,12a-hexamethyloctadecahydro-2H,3'H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-furan]-2-on e

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID58826919

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3'R,4'S,4aR,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-3',4',7-Trihydroxy-1,1,4',7a,8,12a-hexamethyloctadecahydro-2H,3'H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-furan]-2-on e [ACD/IUPAC Name]
Spiro[5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10(2H),2'(3'H)-furan]-2-one, octadecahydro-3',4',7-trihydroxy-1,1,4',7a,8,12a-hexamethyl-, (3'R,4'S,4aR,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,1 2bS,14aR)- [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: 647.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 208.4±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 364.49
ACD/KOC (pH 5.5): 2372.79
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 364.49
ACD/KOC (pH 7.4): 2372.79
Polar Surface Area: 96 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

Click to predict properties on the Chemicalize site


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