ChemSpider 2D Image | oryzalexin E | C20H32O2

oryzalexin E

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID30777361
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3α,5β,9β,10α)-Pimara-8(14),15-dien-3,9-diol [German] [ACD/IUPAC Name]
(3α,5β,9β,10α)-Pimara-8(14),15-diene-3,9-diol [ACD/IUPAC Name]
(3α,5β,9β,10α)-Pimara-8(14),15-diène-3,9-diol [French] [ACD/IUPAC Name]
2,4b(1H)-Phenanthrenediol, 7-ethenyl-2,3,4,4a,5,6,7,9,10,10a-decahydro-1,1,4a,7-tetramethyl-, (2R,4aR,4bS,7S,10aR)- [ACD/Index Name]
oryzalexin E
(2R,4aR,4bS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,4b-diol
(2R,4aR,4bS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-2,4b-diol
150943-96-7 [RN]
162995-10-0 [RN]
3α,9β-dihydroxy-ent-sandaracopimaradiene
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 408.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±6.0 kJ/mol
Flash Point: 178.6±23.3 °C
Index of Refraction: 1.546
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3964.39
ACD/KOC (pH 5.5): 13096.88
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3964.39
ACD/KOC (pH 7.4): 13096.88
Polar Surface Area: 40 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 287.3±5.0 cm3

Click to predict properties on the Chemicalize site






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