ChemSpider 2D Image | ent-sandaracopimara-8(14),15-diene | C20H32

ent-sandaracopimara-8(14),15-diene

  • Molecular FormulaC20H32
  • Average mass272.468 Da
  • Monoisotopic mass272.250397 Da
  • ChemSpider ID21865695

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4aR,4bR,7S,10aR)-7-Ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethylphenanthrene
(5β,9β,10α)-Pimara-8(14),15-dien [German] [ACD/IUPAC Name]
(5β,9β,10α)-Pimara-8(14),15-diene [ACD/IUPAC Name]
(5β,9β,10α)-Pimara-8(14),15-diène [French] [ACD/IUPAC Name]
21738-16-9 [RN]
ent-sandaracopimara-8(14),15-diene
Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, (4aR,4bR,7S,10aR)- [ACD/Index Name]
(+)-Sandaracopimaradiene
ent-sandaracopimaradiene
5β,9β,10α-pimara-8(14),15-diene
More...
  • Miscellaneous

    • Compound Source:

      Aegilops tauschii PlantCyc CPD-4753
      Ananas comosus PlantCyc CPD-4753
      Brachypodium distachyon PlantCyc CPD-4753
      Citrus clementina PlantCyc CPD-4753
      diterpene phytoalexins precursors biosynthesis PlantCyc CPD-4753
      Fragaria vesca subsp. vesca PlantCyc CPD-4753
      Hordeum vulgare subsp. vulgare PlantCyc CPD-4753
      Leersia perrieri PlantCyc CPD-4753
      Linum usitatissimum PlantCyc CPD-4753
      Miscanthus sinensis PlantCyc CPD-4753
      Oropetium thomaeum PlantCyc CPD-4753
      Oryza brachyantha PlantCyc CPD-4753
      Oryza glaberrima PlantCyc CPD-4753
      Oryza punctata PlantCyc CPD-4753
      Oryza rufipogon PlantCyc CPD-4753
      Oryza sativa Japonica Group PlantCyc CPD-4753
      oryzalexin D and E biosynthesis PlantCyc CPD-4753
      Panicum hallii PlantCyc CPD-4753
      Panicum virgatum PlantCyc CPD-4753
      Setaria italica PlantCyc CPD-4753
      Setaria viridis PlantCyc CPD-4753
      Sorghum bicolor PlantCyc CPD-4753
      Triticum aestivum PlantCyc CPD-4753
      Triticum urartu PlantCyc CPD-4753
      Zea mays subsp. mays PlantCyc CPD-4753

    • Bio Activity:

      (-)-ent-copalyl diphosphate -> ent-sandaracopimaradiene + diphosphate PlantCyc CPD-4753
      ent-sandaracopimaradiene + NADPH + H+ + oxygen -> 7beta-hydroxy-ent-sandaracopimaradiene + NADP+ + H2O PlantCyc CPD-4753
      ent-sandaracopimaradiene + NADPH + H+ + oxygen -> ent-sandaracopimaradien-3beta-ol + NADP+ + H2O PlantCyc CPD-4753

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

Density: 0.9±0.1 g/cm3
Boiling Point: 337.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 55.7±0.8 kJ/mol
Flash Point: 150.5±14.4 °C
Index of Refraction: 1.514
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 424867.91
ACD/KOC (pH 5.5): 371772.06
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 424867.91
ACD/KOC (pH 7.4): 371772.06
Polar Surface Area: 0 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 33.1±5.0 dyne/cm
Molar Volume: 292.1±5.0 cm3

Click to predict properties on the Chemicalize site


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