ChemSpider 2D Image | (2R,2'R,3S,3aR,4'R,4a'S,6R,7aS,8a'S)-3,3a-Dihydroxy-2-methoxy-2',5',5',8a'-tetramethyltetradecahydro-2'H-spiro[furo[2,3-b]pyran-6,1'-naphthalen]-4'-yl acetate | C23H38O7

(2R,2'R,3S,3aR,4'R,4a'S,6R,7aS,8a'S)-3,3a-Dihydroxy-2-methoxy-2',5',5',8a'-tetramethyltetradecahydro-2'H-spiro[furo[2,3-b]pyran-6,1'-naphthalen]-4'-yl acetate

  • Molecular FormulaC23H38O7
  • Average mass426.544 Da
  • Monoisotopic mass426.261749 Da
  • ChemSpider ID30834272

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,2'R,3S,3aR,4'R,4a'S,6R,7aS,8a'S)-3,3a-Dihydroxy-2-methoxy-2',5',5',8a'-tetramethyltetradecahydro-2'H-spiro[furo[2,3-b]pyran-6,1'-naphthalen]-4'-yl acetate [ACD/IUPAC Name]
Spiro[6H-furo[2,3-b]pyran-6,1'(2'H)-naphthalene]-3,3a,4'(7aH)-triol, dodecahydro-2-methoxy-2',5',5',8'a-tetramethyl-, 4'-acetate, (2R,2'R,3S,3aR,4'R,4a'S,6R,7aS,8a'S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 520.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 169.6±23.6 °C
Index of Refraction: 1.540
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1532.11
ACD/KOC (pH 5.5): 6631.75
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1532.10
ACD/KOC (pH 7.4): 6631.70
Polar Surface Area: 94 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 352.1±5.0 cm3

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