Found 1 result

Search term: 28288857 (Found by CSID)
ChemSpider 2D Image | (2S,4aR,4bR,6aS,12aS,12bR,14aR)-2-Hydroxy-1,1,4a,6a,9,12b-hexamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H,11H-naphtho[2,1-f]pyrano[4,3-b]chromen-11-one | C26H38O4

(2S,4aR,4bR,6aS,12aS,12bR,14aR)-2-Hydroxy-1,1,4a,6a,9,12b-hexamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H,11H-naphtho[2,1-f]pyrano[4,3-b]chromen-11-one

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID28288857

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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(2S,4aR,4bR,6aS,12aS,12bR,14aR)-2-Hydroxy-1,1,4a,6a,9,12b-hexamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H,11H-naphtho[2,1-f]pyrano[4,3-b]chromen-11-on [German] [ACD/IUPAC Name]
(2S,4aR,4bR,6aS,12aS,12bR,14aR)-2-Hydroxy-1,1,4a,6a,9,12b-hexamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H,11H-naphtho[2,1-f]pyrano[4,3-b]chromen-11-one [ACD/IUPAC Name]
(2S,4aR,4bR,6aS,12aS,12bR,14aR)-2-Hydroxy-1,1,4a,6a,9,12b-hexaméthyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tétradécahydro-1H,11H-naphto[2,1-f]pyrano[4,3-b]chromén-11-one [French] [ACD/IUPAC Name]
1H,11H-Phenanthro[2,1-b]pyrano[3,4-e]pyran-11-one, 2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-2-hydroxy-1,1,4a,6a,9,12b-hexamethyl-, (2S,4aR,4bR,6aS,12aS,12bR,14aR)- [ACD/Index Name]
chevalone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 169.9±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15985.27
ACD/KOC (pH 5.5): 35531.21
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15985.27
ACD/KOC (pH 7.4): 35531.21
Polar Surface Area: 56 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 357.4±5.0 cm3

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