Found 2 results

Search term: YCNIFSHJDNZEIT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4aS,6aS,11bS)-7-(Methoxymethyl)-4,4,6a,11b-tetramethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluorene-9,10-diol | C23H34O3

(4aS,6aS,11bS)-7-(Methoxymethyl)-4,4,6a,11b-tetramethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluorene-9,10-diol

  • Molecular FormulaC23H34O3
  • Average mass358.514 Da
  • Monoisotopic mass358.250793 Da
  • ChemSpider ID28289656

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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(4aS,6aS,11bS)-7-(Methoxymethyl)-4,4,6a,11b-tetramethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluoren-9,10-diol [German] [ACD/IUPAC Name]
(4aS,6aS,11bS)-7-(Methoxymethyl)-4,4,6a,11b-tetramethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluorene-9,10-diol [ACD/IUPAC Name]
(4aS,6aS,11bS)-7-(Méthoxyméthyl)-4,4,6a,11b-tétraméthyl-2,3,4,4a,5,6,6a,11,11a,11b-décahydro-1H-benzo[a]fluorène-9,10-diol [French] [ACD/IUPAC Name]
1H-Benzo[a]fluorene-9,10-diol, 2,3,4,4a,5,6,6a,11,11a,11b-decahydro-7-(methoxymethyl)-4,4,6a,11b-tetramethyl-, (4aS,6aS,11bS)- [ACD/Index Name]
akaol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 232.0±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39576.76
ACD/KOC (pH 5.5): 67986.36
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39348.81
ACD/KOC (pH 7.4): 67594.77
Polar Surface Area: 50 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 326.4±3.0 cm3

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