ChemSpider 2D Image | (3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-Diacetoxy-4a,6a,7,10b-tetramethyl-5'-oxo-1,2,4',4a,5,5',6,6a,9,10,10a,10b-dodecahydrospiro[benzo[f]chromene-3,3'-furan]-10-yl 2-methylpropanoate | C28H40O9

(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-Diacetoxy-4a,6a,7,10b-tetramethyl-5'-oxo-1,2,4',4a,5,5',6,6a,9,10,10a,10b-dodecahydrospiro[benzo[f]chromene-3,3'-furan]-10-yl 2-methylpropanoate

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID28424438

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-Diacetoxy-4a,6a,7,10b-tetramethyl-5'-oxo-1,2,4',4a,5,5',6,6a,9,10,10a,10b-dodecahydrospiro[benzo[f]chromene-3,3'-furan]-10-yl 2-methylpropanoate [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (3S,4a'R,5'S,6'R,6a'R,10'R,10a'S,10b'R)-5',6'-bis(acetyloxy)-1',2',4,4'a,5,5',6',6'a,9',10',10'a,10'b-dodecahydro-4'a,6'a,7',10'b-tetramethyl-5-oxospiro[furan-3(2H),3'-[3H]n aphtho[2,1-b]pyran]-10'-yl ester [ACD/Index Name]
[1207181-61-0] [RN]
1207181-61-0 [RN]
MFCD20260658
Scutebata E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 248.7±30.2 °C
Index of Refraction: 1.532
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 675.02
ACD/KOC (pH 5.5): 3688.30
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 675.02
ACD/KOC (pH 7.4): 3688.30
Polar Surface Area: 114 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 427.0±5.0 cm3

Click to predict properties on the Chemicalize site


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