ChemSpider 2D Image | Ephedranin A | C30H20O11

Ephedranin A

  • Molecular FormulaC30H20O11
  • Average mass556.473 Da
  • Monoisotopic mass556.100586 Da
  • ChemSpider ID10290141

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,13R,21S)-6,9,17,19,21-Pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,5,8,10,15,17,19-heptaen-7-on [German] [ACD/IUPAC Name]
(1S,13R,21S)-6,9,17,19,21-Pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,5,8,10,15,17,19-heptaen-7-one [ACD/IUPAC Name]
(1S,13R,21S)-6,9,17,19,21-Pentahydroxy-5,13-bis(4-hydroxyphényl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]hénicosa-2,5,8,10,15,17,19-heptaén-7-one [French] [ACD/IUPAC Name]
8,14-Methano-4H,14H-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalen-4-one, 3,5,11,13,15-pentahydroxy-2,8-bis(4-hydroxyphenyl)-, (8R,14S,15S)- [ACD/Index Name]
Ephedranin A
(1S,13R,21S)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,5,8,10,15(20),16,18-heptaen-7-one
(1S,13R,21S)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,5,8,10,15(20),16,18-heptaen-7-one
3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavone
3,5,11,13,15-Pentahydroxy-2,8-bis(4-hydroxyphenyl)-8,14-methano-4H,14H-1-benzopyrano[7,8-D][1,3]benzodioxocin-4-one, 9CI
82001-39-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.8±0.1 g/cm3
Boiling Point: 888.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 300.3±27.8 °C
Index of Refraction: 1.836
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.29
ACD/KOC (pH 5.5): 1195.76
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 90.61
ACD/KOC (pH 7.4): 772.34
Polar Surface Area: 186 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 108.9±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

Click to predict properties on the Chemicalize site


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